1UWB
 
 | | TYR 181 CYS HIV-1 RT/8-CL TIBO | | Descriptor: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE | | Authors: | Das, K, Ding, J, Hsiou, Y, Arnold, E. | | Deposit date: | 1996-11-21 | | Release date: | 1997-05-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant.
J.Mol.Biol., 264, 1996
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4GTW
 | | Crystal structure of mouse Enpp1 in complex with AMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Kato, K, Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2012-08-29 | | Release date: | 2012-11-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1GO8
 | | The metzincin's methionine: PrtC M226L mutant | | Descriptor: | CALCIUM ION, PHOSPHATE ION, PROTEASE C, ... | | Authors: | Baumann, U. | | Deposit date: | 2001-10-20 | | Release date: | 2002-10-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of a Complex between Pseudomonas Aeruginosa Alkaline Protease and its Cognate Inhibitor: Inhibition by a Zinc-NH2 Coordinative Bond
J.Biol.Chem., 276, 2001
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1H0C
 | | The crystal structure of human alanine:glyoxylate aminotransferase | | Descriptor: | (AMINOOXY)ACETIC ACID, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Zhang, X, Danpure, C.J, Roe, S.M, Pearl, L.H. | | Deposit date: | 2002-06-17 | | Release date: | 2003-06-12 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Alanine:Glyoxylate Aminotransferase and the Relationship between Genotype and Enzymatic Phenotype in Primary Hyperoxaluria Type 1.
J.Mol.Biol., 331, 2003
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3M0C
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3M3Y
 | | RNA polymerase II elongation complex C | | Descriptor: | DNA (28-MER), DNA (5'-D(*GP*TP*GP*GP*TP*TP*AP*TP*GP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, D, Zhu, G, Huang, X, Lippard, S.J. | | Deposit date: | 2010-03-10 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3MS3
 | | Crystal structure of Thermolysin in complex with Aniline | | Descriptor: | ANILINE, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Behnen, J, Heine, A, Klebe, G. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
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3MSA
 | | Crystal structure of Thermolysin in complex with 3-Bromophenol | | Descriptor: | 3-bromophenol, CALCIUM ION, GLYCEROL, ... | | Authors: | Behnen, J, Heine, A, Klebe, G. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
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3MBG
 | | Crystal Structure of Human Augmenter of Liver Regeneration (ALR) | | Descriptor: | ACETATE ION, FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dong, M, Schaefer, S, Daithankar, V.N, Thorpe, C, Bahnson, B.J. | | Deposit date: | 2010-03-25 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the human sulfhydryl oxidase augmenter of liver regeneration and characterization of a human mutation causing an autosomal recessive myopathy .
Biochemistry, 49, 2010
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3MSJ
 | | Structure of bace (beta secretase) in complex with inhibitor | | Descriptor: | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol, BETA-SECRETASE 1, GLYCEROL | | Authors: | Madden, J, Kramer, J, Smith, M.A, Barker, J, Godemann, R. | | Deposit date: | 2010-04-29 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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4EFQ
 | | Bombyx mori lipoprotein 7 - platinum derivative at 1.94 A resolution | | Descriptor: | 30kDa protein, PLATINUM (II) ION, POTASSIUM ION, ... | | Authors: | Pietrzyk, A.J, Panjikar, S, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G. | | Deposit date: | 2012-03-30 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | High-resolution structure of Bombyx mori lipoprotein 7: crystallographic determination of the identity of the protein and its potential role in detoxification.
Acta Crystallogr.,Sect.D, 68, 2012
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4EH1
 | | Crystal Structure of the Flavohem-like-FAD/NAD Binding Domain of Nitric Oxide Dioxygenase from Vibrio cholerae O1 biovar El Tor | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoprotein, ... | | Authors: | Kim, Y, Gu, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-02 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Flavohem-like-FAD/NAD Binding Domain of Nitric Oxide Dioxygenase from Vibrio cholerae O1 biovar El Tor
To be Published
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4EOI
 | | Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 | | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4EOP
 | | Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 | | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4ES5
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4O3F
 | | Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone | | Authors: | Li, X.L, Finci, I.L, Wang, J.H. | | Deposit date: | 2013-12-18 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.106 Å) | | Cite: | Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
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4EE2
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4EOM
 | | Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4NYT
 | | L-Ficolin Complexed to Phosphocholine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Laffly, E, Gaboriaud, C, Martin, L, Thielens, N. | | Deposit date: | 2013-12-11 | | Release date: | 2014-10-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Human L-ficolin recognizes phosphocholine moieties of pneumococcal teichoic Acid
J.Immunol., 193, 2014
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4EOO
 | | Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4NZN
 | | Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2-O-BN-5-PA-INSP4 | | Descriptor: | (2-{[(1s,2R,3R,4r,5S,6S)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2013-12-12 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
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1SGF
 | | CRYSTAL STRUCTURE OF 7S NGF: A COMPLEX OF NERVE GROWTH FACTOR WITH FOUR BINDING PROTEINS (SERINE PROTEINASES) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NERVE GROWTH FACTOR, ... | | Authors: | Bax, B.D.V, Blundell, T.L, Murray-Rust, J, Mcdonald, N.Q. | | Deposit date: | 1997-08-08 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure of mouse 7S NGF: a complex of nerve growth factor with four binding proteins.
Structure, 5, 1997
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1SHL
 | | CASPASE-7 IN COMPLEX WITH FICA ALLOSTERIC INHIBITOR | | Descriptor: | 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE, Caspase-7 | | Authors: | Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A. | | Deposit date: | 2004-02-25 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of an allosteric site in the caspases
Proc.Natl.Acad.Sci.USA, 101, 2004
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4KB7
 | | HCV NS5B GT1B N316Y with CMPD 32 | | Descriptor: | 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase | | Authors: | Williams, S.P, Kahler, K.M, Shotwell, J.B. | | Deposit date: | 2013-04-23 | | Release date: | 2013-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
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4GTX
 | | Crystal structure of mouse Enpp1 in complex with TMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Kato, K, Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2012-08-29 | | Release date: | 2012-11-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.201 Å) | | Cite: | Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Proc.Natl.Acad.Sci.USA, 109, 2012
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