7NL5
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![BU of 7nl5 by Molmil](/molmil-images/mine/7nl5) | Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol trisaccharide inhibitor | Descriptor: | (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol, (1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol, Alpha-1,6-mannanase, ... | Authors: | Schroeder, S, Offen, W.A, Males, A, Jin, Y, De Boer, C, Enotarpi, J, Marino, L, van der Marel, G.A, Florea, B.I, Codee, J.D.C, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2021-02-22 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases. Chemistry, 27, 2021
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8RW3
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![BU of 8rw3 by Molmil](/molmil-images/mine/8rw3) | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H. | Deposit date: | 2024-02-02 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition. Chemistry, 30, 2024
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6ZBX
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![BU of 6zbx by Molmil](/molmil-images/mine/6zbx) | Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6- alpha-manno-cyclophellitol carbasugar-stabilised trisaccharide inhibitor | Descriptor: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, ... | Authors: | Schroeder, S, Offen, W.A, Jin, Y, De Boer, C, Enoterpi, J, Marino, L, van der Marel, G.A, Codee, J.D.C, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2020-06-09 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases. Chemistry, 27, 2021
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4QLU
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![BU of 4qlu by Molmil](/molmil-images/mine/4qlu) | yCP in complex with tripeptidic epoxyketone inhibitor 9 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide, ... | Authors: | de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H. | Deposit date: | 2014-06-13 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes J.Med.Chem., 57, 2014
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4QLQ
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![BU of 4qlq by Molmil](/molmil-images/mine/4qlq) | yCP in complex with tripeptidic epoxyketone inhibitor 8 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-L-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ... | Authors: | De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H. | Deposit date: | 2014-06-13 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes J.Med.Chem., 57, 2014
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4QLT
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![BU of 4qlt by Molmil](/molmil-images/mine/4qlt) | yCP in complex with tripeptidic epoxyketone inhibitor 2 (PR924) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-L-tryptophanamide, ... | Authors: | de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H. | Deposit date: | 2014-06-13 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes J.Med.Chem., 57, 2014
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4QLV
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![BU of 4qlv by Molmil](/molmil-images/mine/4qlv) | yCP in complex with tripeptidic epoxyketone inhibitor 17 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide, ... | Authors: | de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H. | Deposit date: | 2014-06-13 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes J.Med.Chem., 57, 2014
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4QLS
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![BU of 4qls by Molmil](/molmil-images/mine/4qls) | yCP in complex with tripeptidic epoxyketone inhibitor 11 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ... | Authors: | De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H. | Deposit date: | 2014-06-13 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes J.Med.Chem., 57, 2014
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308D
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![BU of 308d by Molmil](/molmil-images/mine/308d) | BINDING OF DAUNOMYCIN TO B-D-GLUCOSYLATED DNA FOUND IN PROTOZOA TRYPANOSOMA BRUCEI STUDIED BY X-RAY CRYSTALLOGRAPH | Descriptor: | DAUNOMYCIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Gao, Y.-G, Robinson, H, Wijsman, E.R, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J. | Deposit date: | 1997-01-15 | Release date: | 1997-01-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding of Daunomycin to beta-D-Glucosylated DNA Found in Protozoa Trypanosoma brucei Studied by X-Ray Crystallography J.Am.Chem.Soc., 119, 1997
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336D
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![BU of 336d by Molmil](/molmil-images/mine/336d) | INTERACTION BETWEEN LEFT-HANDED Z-DNA AND POLYAMINE-3 THE CRYSTAL STRUCTURE OF THE D(CG)3 AND THERMOSPERMINE COMPLEX | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE | Authors: | Ohishi, H, Terasoma, N, Nakanishi, I, Van Der Marel, G, Van Boom, J.H, Rich, A, Wang, A.H.-J, Hakoshima, T, Tomita, K.-I. | Deposit date: | 1997-06-24 | Release date: | 1998-04-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Interaction between left-handed Z-DNA and polyamine - 3. The crystal structure of the d(CG)3 and thermospermine complex. FEBS Lett., 398, 1996
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4DNB
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![BU of 4dnb by Molmil](/molmil-images/mine/4dnb) | METHYLATION OF THE ECORI RECOGNITION SITE DOES NOT ALTER DNA CONFORMATION. THE CRYSTAL STRUCTURE OF D(CGCGAM6ATTCGCG) AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*(6MA)P*TP*TP*CP*GP*CP*G)-3') | Authors: | Frederick, C.A, Quigley, G.J, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J, Rich, A. | Deposit date: | 1988-08-29 | Release date: | 1989-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Methylation of the EcoRI recognition site does not alter DNA conformation: the crystal structure of d(CGCGAm6ATTCGCG) at 2.0-A resolution. J.Biol.Chem., 263, 1988
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1VTG
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![BU of 1vtg by Molmil](/molmil-images/mine/1vtg) | THE MOLECULAR STRUCTURE OF A DNA-TRIOSTIN A COMPLEX | Descriptor: | 2-CARBOXYQUINOXALINE, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), triostin A | Authors: | Wang, A.H.-J, Ughetto, G, Quigley, G.J, Hakoshima, T, Van Der Marel, G.A, Van Boom, J.H, Rich, A. | Deposit date: | 1988-08-18 | Release date: | 2011-07-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The molecular structure of a DNA-triostin A complex. Science, 225, 1984
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2DCG
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![BU of 2dcg by Molmil](/molmil-images/mine/2dcg) | MOLECULAR STRUCTURE OF A LEFT-HANDED DOUBLE HELICAL DNA FRAGMENT AT ATOMIC RESOLUTION | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE | Authors: | Wang, A.H.-J, Quigley, G.J, Kolpak, F.J, Crawford, J.L, Van Boom, J.H, Van Der Marel, G.A, Rich, A. | Deposit date: | 1988-08-29 | Release date: | 1989-01-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Molecular structure of a left-handed double helical DNA fragment at atomic resolution. Nature, 282, 1979
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1UZ8
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![BU of 1uz8 by Molmil](/molmil-images/mine/1uz8) | anti-Lewis X Fab fragment in complex with Lewis X | Descriptor: | IGG FAB (IGG3, KAPPA) HEAVY CHAIN 291-2G3-A, KAPPA) LIGHT CHAIN 291-2G3-A, ... | Authors: | Van Roon, A.M.M, Pannu, N.S, De Vrind, J.P.M, Hokke, C.H, Deelder, A.M, Van Der marel, G.A, Van Boom, J.H, Abrahams, J.P. | Deposit date: | 2004-03-05 | Release date: | 2004-06-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of an Anti-Lewis X Fab Fragment in Complex with its Lewis X Antigen Structure, 12, 2004
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1VTE
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![BU of 1vte by Molmil](/molmil-images/mine/1vte) | MOLECULAR STRUCTURE OF NICKED DNA. MODEL A4 | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*T)-3'), DNA (5'-D(*TP*TP*CP*GP*CP*G)-3') | Authors: | Aymani, J, Coll, M, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J, Rich, A. | Deposit date: | 1990-05-21 | Release date: | 2011-07-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular structure of nicked DNA: a substrate for DNA repair enzymes. Proc. Natl. Acad. Sci. U.S.A., 87, 1990
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1NDN
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![BU of 1ndn by Molmil](/molmil-images/mine/1ndn) | MOLECULAR STRUCTURE OF NICKED DNA. MODEL T4 | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*T)-3'), DNA (5'-D(*TP*TP*CP*GP*CP*G)-3') | Authors: | Aymani, J, Coll, M, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J, Rich, A. | Deposit date: | 1992-01-15 | Release date: | 1992-07-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular structure of nicked DNA: a substrate for DNA repair enzymes. Proc.Natl.Acad.Sci.USA, 87, 1990
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1UZ6
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![BU of 1uz6 by Molmil](/molmil-images/mine/1uz6) | anti-Lewis X Fab fragment uncomplexed | Descriptor: | IGG FAB (IGG3, KAPPA) HEAVY CHAIN 291-2G3-A, KAPPA) LIGHT CHAIN 291-2G3-A, ... | Authors: | Van Roon, A.M.M, Pannu, N.S, De Vrind, J.P.M, Hokke, C.H, Deelder, A.M, Van Der marel, G.A, Van Boom, J.H, Abrahams, J.P. | Deposit date: | 2004-03-05 | Release date: | 2004-06-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of an Anti-Lewis X Fab Fragment in Complex with its Lewis X Antigen Structure, 12, 2004
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1SP6
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![BU of 1sp6 by Molmil](/molmil-images/mine/1sp6) | A DNA duplex containing a cholesterol adduct (alpha-anomer) | Descriptor: | 5'-D(*CP*CP*AP*CP*(HOL)P*GP*GP*AP*AP*C)-3', 5'-D(GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3' | Authors: | Gomez-Pinto, I, Cubero, E, Kalko, S.G, Monaco, V, van der Marel, G, van Boom, J.H, Orozco, M, Gonzalez, C. | Deposit date: | 2004-03-16 | Release date: | 2004-06-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Effect of bulky lesions on DNA: Solution structure of a DNA duplex containing a cholesterol adduct. J.Biol.Chem., 279, 2004
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1SSJ
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![BU of 1ssj by Molmil](/molmil-images/mine/1ssj) | A DNA DUPLEX CONTAINING A CHOLESTEROL ADDUCT (BETA-ANOMER) | Descriptor: | 5'-D(*CP*CP*AP*CP*(HOB)P*GP*GP*AP*AP*C)-3', 5'-D(GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3' | Authors: | Gomez-Pinto, I, Cubero, E, Kalko, S.G, Monaco, V, van der Marel, G, van Boom, J.H, Orozco, M, Gonzalez, C. | Deposit date: | 2004-03-24 | Release date: | 2004-06-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Effect of bulky lesions on DNA: Solution structure of a DNA duplex containing a cholesterol adduct. J.Biol.Chem., 279, 2004
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1VTY
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![BU of 1vty by Molmil](/molmil-images/mine/1vty) | Crystal structure of a Z-DNA fragment containing thymine/2-aminoadenine base pairs | Descriptor: | AMINO GROUP, DNA (5'-D(*CP*(NH2)AP*CP*GP*TP*G)-3'), MAGNESIUM ION | Authors: | Coll, M, Wang, A.H.-J, Van Der Marel, G.A, Van Boom, J.H, Rich, A. | Deposit date: | 1988-08-18 | Release date: | 2011-07-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of a Z-DNA fragment containing thymine/2-aminoadenine base pairs. J. Biomol. Struct. Dyn., 4, 1986
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1O55
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![BU of 1o55 by Molmil](/molmil-images/mine/1o55) | MOLECULAR STRUCTURE OF TWO CRYSTAL FORMS OF CYCLIC TRIADENYLIC ACID AT 1 ANGSTROM RESOLUTION | Descriptor: | COBALT (II) ION, DNA (5'-CD(*AP*AP*AP)-3') | Authors: | Gao, Y.G, Robinson, H, Guan, Y, Liaw, Y.C, van Boom, J.H, van der Marel, G.A, Wang, A.H. | Deposit date: | 2003-08-20 | Release date: | 2003-08-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Molecular structure of two crystal forms of cyclic triadenylic acid at 1A resolution. J.Biomol.Struct.Dyn., 16, 1998
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4INR
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![BU of 4inr by Molmil](/molmil-images/mine/4inr) | Yeast 20S proteasome in complex with the vinyl sulfone LU102 | Descriptor: | N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | Authors: | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | Deposit date: | 2013-01-06 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites. J.Med.Chem., 56, 2013
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4INT
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![BU of 4int by Molmil](/molmil-images/mine/4int) | Yeast 20S proteasome in complex with the vinyl sulfone LU122 | Descriptor: | HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | Authors: | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | Deposit date: | 2013-01-06 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites. J.Med.Chem., 56, 2013
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4INU
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![BU of 4inu by Molmil](/molmil-images/mine/4inu) | Yeast 20S proteasome in complex with the vinyl sulfone LU112 | Descriptor: | N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | Authors: | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | Deposit date: | 2013-01-06 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites. J.Med.Chem., 56, 2013
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1O56
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![BU of 1o56 by Molmil](/molmil-images/mine/1o56) | MOLECULAR STRUCTURE OF TWO CRYSTAL FORMS OF CYCLIC TRIADENYLIC ACID AT 1 ANGSTROM RESOLUTION | Descriptor: | DNA (5'-CD(*AP*AP*AP*)-3') | Authors: | Gao, Y.G, Robinson, H, Guan, Y, Liaw, Y.C, van Boom, J.H, van der Marel, G.A, Wang, A.H. | Deposit date: | 2003-08-20 | Release date: | 2003-08-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Molecular structure of two crystal forms of cyclic triadenylic acid at 1A resolution. J.Biomol.Struct.Dyn., 16, 1998
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