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8T7P
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BU of 8t7p by Molmil
X-ray crystal structure of PfA-M1(M462S)
Descriptor: Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ...
Authors:Yang, W, Drinkwater, N, Webb, C.T, McGowan, S.
Deposit date:2023-06-21
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
1X7D
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BU of 1x7d by Molmil
Crystal Structure Analysis of Ornithine Cyclodeaminase Complexed with NAD and ornithine to 1.6 Angstroms
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L-ornithine, ...
Authors:Alam, S, Goodman, J.L, Wang, S, Ruzicka, F.J, Frey, P.A, Wedekind, J.E.
Deposit date:2004-08-13
Release date:2004-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for the u-Crystallin Family
Biochemistry, 43, 2004
5CDZ
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BU of 5cdz by Molmil
Crystal structure of conserpin in the latent state
Descriptor: Conserpin in the latent state, GLYCEROL
Authors:Porebski, B.T, McGowan, S, Keleher, S, Buckle, A.M.
Deposit date:2015-07-06
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Smoothing a rugged protein folding landscape by sequence-based redesign.
Sci Rep, 6, 2016
5CE0
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BU of 5ce0 by Molmil
Crystal structure of conserpin with Z-mutation
Descriptor: Native conserpin with Z-variant (E342K)
Authors:Porebski, B.T, McGowan, S, Keleher, S, Buckle, A.M.
Deposit date:2015-07-06
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Smoothing a rugged protein folding landscape by sequence-based redesign.
Sci Rep, 6, 2016
3D4V
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BU of 3d4v by Molmil
Crystal Structure of an AlkA Host/Guest Complex N7MethylGuanine:Cytosine Base Pair
Descriptor: 5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(FMG)P*DTP*DGP*DCP*DC)-3', 5'-D(*DGP*DGP*DCP*DAP*DCP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3', DNA-3-methyladenine glycosylase 2
Authors:Lee, S, Bowman, B.R, Wang, S, Verdine, G.L.
Deposit date:2008-05-15
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Synthesis and structure of duplex DNA containing the genotoxic nucleobase lesion N7-methylguanine.
J.Am.Chem.Soc., 130, 2008
4R5V
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BU of 4r5v by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: GLYCEROL, M1 family aminopeptidase, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R7M
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BU of 4r7m by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, DIMETHYL SULFOXIDE, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-28
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R76
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BU of 4r76 by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, M17 family aminopeptidase, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-27
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R5T
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BU of 4r5t by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R6T
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BU of 4r6t by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, M17 leucyl aminopeptidase, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
3CVS
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BU of 3cvs by Molmil
Crystal Structure of an AlkA Host/Guest Complex 8oxoGuanine:Adenine Base Pair
Descriptor: DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(8OG)P*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DAP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2008-04-19
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
5EHJ
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BU of 5ehj by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol
Descriptor: 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-10-28
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3CWA
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BU of 3cwa by Molmil
Crystal Structure of an AlkA Host/Guest Complex 8oxoGuanine:Cytosine Base Pair
Descriptor: DNA (5'-D(*(8OG)P*DAP*DCP*DAP*DTP*DGP*DAP*DGP*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DCP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2008-04-21
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
5EIT
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BU of 5eit by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol
Descriptor: 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-10-30
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4Z0B
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BU of 4z0b by Molmil
Crystal Structure of the Fab Fragment of Anti-ofloxacin Antibody and Exploration Its Receptor Binding Site
Descriptor: PHOSPHATE ION, antibody heavy chain, antibody light chain
Authors:He, K, Du, X, Sheng, W, Zhou, X, Wang, J, Wang, S.
Deposit date:2015-03-26
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of the Fab Fragment of an Anti-ofloxacin Antibody and Exploration of Its Specific Binding.
J.Agric.Food Chem., 64, 2016
4R5X
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BU of 4r5x by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
1TL2
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BU of 1tl2 by Molmil
TACHYLECTIN-2 FROM TACHYPLEUS TRIDENTATUS (JAPANESE HORSESHOE CRAB)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, PROTEIN (TACHYLECTIN-2)
Authors:Beisel, H.-G, Kawabata, S, Iwanaga, S, Huber, R, Bode, W.
Deposit date:1998-12-14
Release date:1999-12-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tachylectin-2: crystal structure of a specific GlcNAc/GalNAc-binding lectin involved in the innate immunity host defense of the Japanese horseshoe crab Tachypleus tridentatus.
EMBO J., 18, 1999
3CVT
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BU of 3cvt by Molmil
Crystal Structure of an AlkA Host/Guest Complex 8oxoGuanine:Cytosine Base Pair
Descriptor: DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*(8OG)P*DAP*DGP*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DCP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2008-04-19
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
3CWS
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BU of 3cws by Molmil
Crystal Structure of an AlkA Host/Guest Complex 2'-fluoro-2'-deoxyinosine:Thymine Base Pair
Descriptor: DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(2FI)P*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DTP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2008-04-22
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
3CWU
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BU of 3cwu by Molmil
Crystal Structure of an AlkA Host/Guest Complex 2'-fluoro-2'-deoxy-1,N6-ethenoadenine:Thymine Base Pair
Descriptor: DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(2FE)P*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DTP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2008-04-22
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
3CW7
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BU of 3cw7 by Molmil
Crystal Structure of an AlkA Host/Guest Complex 8oxoGuanine:Cytosine Base Pair
Descriptor: DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(8OG)P*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DCP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2008-04-21
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
3CWT
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BU of 3cwt by Molmil
Crystal Structure of an AlkA Host/Guest Complex 2'-fluoro-2'-deoxyinosine:Adenine Base Pair
Descriptor: DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(2FI)P*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DAP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2008-04-22
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
4BCG
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BU of 4bcg by Molmil
Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-04-17
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (3.085 Å)
Cite:Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
4BCP
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BU of 4bcp by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
Descriptor: 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
Authors:Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
Deposit date:2012-10-02
Release date:2013-04-17
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
6KWN
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BU of 6kwn by Molmil
Crystal structure of pSLA-1*1301(F99Y) complex with S-OIV-derived epitope NSDTVGWSW
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide
Authors:Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
Deposit date:2019-09-07
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism.
Front Immunol, 12, 2021

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