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1X81
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BU of 1x81 by Molmil
Farnesyl transferase structure of Jansen compound
Descriptor: 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, Protein farnesyltransferase beta subunit, Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit, ...
Authors:Li, Q, Claiborne, A, Li, T, Hasvold, L, Stoll, V.S, Muchmore, S, Jakob, C.G, Gu, W, Cohen, J, Hutchins, C, Frost, D, Rosenberg, S.H, Sham, H.L.
Deposit date:2004-08-16
Release date:2004-12-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
6W9P
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BU of 6w9p by Molmil
Tel26 Parallel Four-quartet G-quadruplex with K+
Descriptor: DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*T)-3'), POTASSIUM ION, SODIUM ION
Authors:McCarthy, S.E, Yatsunyk, L.A, Beseiso, D, Miao, J.
Deposit date:2020-03-23
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes.
Nucleic Acids Res., 50, 2022
1XG3
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BU of 1xg3 by Molmil
Crystal structure of the C123S 2-methylisocitrate lyase mutant from Escherichia coli in complex with the reaction product, Mg(II)-pyruvate and succinate
Descriptor: MAGNESIUM ION, PYRUVIC ACID, Probable methylisocitrate lyase, ...
Authors:Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O.
Deposit date:2004-09-16
Release date:2005-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution
Biochemistry, 44, 2005
1X9W
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BU of 1x9w by Molmil
T7 DNA polymerase in complex with a primer/template DNA containing a disordered N-2 aminofluorene on the template, crystallized with dideoxy-ATP as the incoming nucleotide.
Descriptor: 5'-D(*CP*CP*CP*(AFG)*AP*TP*CP*AP*CP*AP*CP*TP*AP*CP*CP*AP*AP*TP*CP*AP*CP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*GP*TP*GP*AP*TP*T*GP*GP*T*AP*GP*TP*GP*TP*GP*AP*(2DT))-3', DNA polymerase, ...
Authors:Dutta, S, Li, Y, Johnson, D, Dzantiev, L, Richardson, C.C, Romano, L.J, Ellenberger, T.
Deposit date:2004-08-24
Release date:2004-10-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of 2-acetylaminofluorene and 2-aminofluorene in complex with T7 DNA polymerase reveal mechanisms of mutagenesis.
Proc.Natl.Acad.Sci.Usa, 101, 2004
7TXU
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BU of 7txu by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ATP and 16x(Asp-Arg)
Descriptor: 16x(Asp-Arg), ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ...
Authors:Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
Deposit date:2022-02-09
Release date:2022-06-01
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:A cryptic third active site in cyanophycin synthetase creates primers for polymerization
Nat Commun, 13, 2022
1XAP
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BU of 1xap by Molmil
Structure of the ligand binding domain of the Retinoic Acid Receptor beta
Descriptor: 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Retinoic acid receptor beta
Authors:Germain, P, Kammerer, S, Peluso-Iltis, C, Tortolani, D, Zusi, F.C, Starrett, J, Lapointe, P, Daris, J.P, Marinier, A, De Lera, A.R, Rochel, N, Gronemeyer, H.
Deposit date:2004-08-26
Release date:2004-11-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational design of RAR-selective ligands revealed by RARbeta crystal structure
Embo Rep., 5, 2004
1XH6
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BU of 1xh6 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
7TOO
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BU of 7too by Molmil
Yeast 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein GR20
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
7TXV
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BU of 7txv by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 E82Q with ATP and 16x(Asp-Arg)
Descriptor: 16x(Asp-Arg), ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ...
Authors:Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
Deposit date:2022-02-09
Release date:2022-06-01
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A cryptic third active site in cyanophycin synthetase creates primers for polymerization
Nat Commun, 13, 2022
1XJY
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BU of 1xjy by Molmil
The crystal structures of the DNA binding sites of the RUNX1 transcription factor
Descriptor: 5'-D(*TP*CP*TP*GP*CP*GP*GP*TP*C)-3', 5'-D(*TP*GP*AP*CP*CP*GP*CP*AP*G)-3'
Authors:Kitayner, M, Rozenberg, H, Rabinovich, D, Shakked, Z.
Deposit date:2004-09-26
Release date:2005-03-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the DNA-binding site of Runt-domain transcription regulators.
Acta Crystallogr.,Sect.D, 61, 2005
1XE1
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BU of 1xe1 by Molmil
Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001
Descriptor: SULFATE ION, hypothetical protein PF0907
Authors:Chang, J.C, Zhao, M, Zhou, W, Liu, Z.J, Tempel, W, Arendall III, W.B, Chen, L, Lee, D, Habel, J.E, Rose, J.P, Richardson, J.S, Richardson, D.C, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-08
Release date:2004-09-21
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001
To be published
1XEG
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BU of 1xeg by Molmil
Crystal structure of human carbonic anhydrase II complexed with an acetate ion
Descriptor: ACETATE ION, Carbonic anhydrase II, ZINC ION
Authors:Mazumdar, P.A, Kumaran, D, Das, A.K, Swaminathan, S.
Deposit date:2004-09-10
Release date:2005-09-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A novel acetate-bound complex of human carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 64, 2008
7U8C
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BU of 7u8c by Molmil
Crystal structure of Mesothelin C-terminal peptide-MORAb 15B6 FAB complex
Descriptor: MORab 15B6 Fab heavy chain, MORab 15B6 Fab light chain, Mesothelin, ...
Authors:Zhan, J, Esser, L, Xia, D.
Deposit date:2022-03-08
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Highly active CAR T cells that bind to a juxtamembrane region of mesothelin and are not blocked by shed mesothelin.
Proc.Natl.Acad.Sci.USA, 119, 2022
1XFH
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BU of 1xfh by Molmil
Structure of glutamate transporter homolog from Pyrococcus horikoshii
Descriptor: proton glutamate symport protein
Authors:Yernool, D, Boudker, O, Jin, Y, Gouaux, E.
Deposit date:2004-09-14
Release date:2004-10-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a glutamate transporter homologue from Pyrococcus horikoshii
Nature, 431, 2004
1XM6
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BU of 1xm6 by Molmil
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Mesopram
Descriptor: (5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC ION, ...
Authors:Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-10-01
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
1XG4
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BU of 1xg4 by Molmil
Crystal Structure of the C123S 2-Methylisocitrate Lyase Mutant from Escherichia coli in complex with the inhibitor isocitrate
Descriptor: ISOCITRIC ACID, MAGNESIUM ION, Probable methylisocitrate lyase
Authors:Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O.
Deposit date:2004-09-16
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution
Biochemistry, 44, 2005
7ZXK
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BU of 7zxk by Molmil
Human IL-27 in complex with neutralizing SRF388 FAb fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 subunit alpha, Interleukin-27 subunit beta, ...
Authors:Bloch, Y, Skladanowska, K, Strand, J, Welin, M, Logan, D, Hill, J, Savvides, S.N.
Deposit date:2022-05-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27.
Cell Rep, 41, 2022
1XHC
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BU of 1xhc by Molmil
NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase /nitrite reductase
Authors:Horanyi, P, Tempel, W, Weinberg, M.V, Liu, Z.-J, Shah, A, Chen, L, Lee, D, Sugar, F.J, Brereton, P.S, Izumi, M, Poole II, F.L, Shah, C, Jenney Jr, F.E, Arendall III, W.B, Rose, J.P, Adams, M.W.W, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-17
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001
To be published
2O44
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Structure of 23S rRNA of the large ribosomal subunit from Deinococcus radiodurans in complex with the macrolide josamycin
Descriptor: (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(ACETYLOXY)-10-HYDROXY-5-METHOXY-9,16-DIMETHYL-2-OXO-7-(2-OXOETHYL)OXACYCLOHEXADECA-12,14-DIEN-6-YL]OXY}-4-(DIMETHYLAMINO)-5-HYDROXY-2-METHYLTETRAHYDRO-2H-PYRAN-3-YL]OXY}-4-HYDROXY-2,4-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL 3-METHYLBUTANOATE, 23S rRNA
Authors:Pyetan, E, Daram, D, Auerbach-Nevo, T, Yonath, A.
Deposit date:2006-12-03
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Chemical parameters influencing fine tuning in the binding of Macrolide antibiotics to the ribosomal tunnel
TO BE PUBLISHED
1XOR
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BU of 1xor by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Zardaverine
Descriptor: 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE, MAGNESIUM ION, ZINC ION, ...
Authors:Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-10-06
Release date:2004-12-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
1X7A
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BU of 1x7a by Molmil
Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Descriptor: 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ...
Authors:Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M.
Deposit date:2004-08-13
Release date:2005-08-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa
Bioorg.Med.Chem.Lett., 14, 2004
1XPL
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BU of 1xpl by Molmil
Crystal Structure of Staphylococcus aureus HMG-COA Synthase with Acetoacetyl-COA and Acetylated Cysteine
Descriptor: 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, SULFATE ION
Authors:Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T.
Deposit date:2004-10-08
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004
4RF5
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BU of 4rf5 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant
Descriptor: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
431D
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BU of 431d by Molmil
5'-D(*GP*GP*CP*CP*AP*AP*TP*TP*GP*G)-3'
Descriptor: DNA (5'-D(*GP*GP*CP*CP*AP*AP*TP*TP*GP*G)-3'), MAGNESIUM ION
Authors:Vlieghe, D, Turkenburg, J.P, Van Meervelt, L.
Deposit date:1998-10-09
Release date:1999-09-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:B-DNA at atomic resolution reveals extended hydration patterns.
Acta Crystallogr.,Sect.D, 55, 1999
1XQE
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The mechanism of ammonia transport based on the crystal structure of AmtB of E. coli.
Descriptor: ACETATE ION, Probable ammonium transporter, SULFATE ION
Authors:Zheng, L, Kostrewa, D, Berneche, S, Winkler, F.K, Li, X.-D.
Deposit date:2004-10-12
Release date:2004-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The mechanism of ammonia transport based on the crystal structure of AmtB of Escherichia coli
Proc.Natl.Acad.Sci.USA, 101, 2004

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