8GJR
 
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1OS4
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5TLJ
 | | COMPLEX BETWEEN HUMAN CD27 AND FAB FRAGMENTS OF ANTIBODIES M2177 AND M2191 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, M2177 HEAVY CHAIN, ... | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | | Deposit date: | 2016-10-11 | | Release date: | 2017-02-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Epitope-dependent mechanisms of CD27 neutralization revealed by X-ray crystallography.
Mol. Immunol., 83, 2017
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1DYH
 | | ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS | | Descriptor: | 5-DEAZAFOLIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Reyes, V.M, Kraut, J. | | Deposit date: | 1994-10-26 | | Release date: | 1995-06-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
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1ZEN
 | | CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE | | Descriptor: | CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE, ZINC ION | | Authors: | Cooper, S.J, Leonard, G.A, Hunter, W.N. | | Deposit date: | 1996-07-08 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of a class II fructose-1,6-bisphosphate aldolase shows a novel binuclear metal-binding active site embedded in a familiar fold.
Structure, 4, 1996
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5QTT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-10-16 | | Release date: | 2019-12-25 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
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5QTU
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-10-16 | | Release date: | 2019-12-25 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
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1DYI
 | | ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ... | | Authors: | Reyes, V.M, Kraut, J. | | Deposit date: | 1994-10-26 | | Release date: | 1995-06-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
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2BLZ
 | | RNAse after a high dose X-ray "burn" | | Descriptor: | CHLORIDE ION, RIBONUCLEASE PANCREATIC | | Authors: | Nanao, M.H, Ravelli, R.B. | | Deposit date: | 2005-03-08 | | Release date: | 2005-09-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
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4BJC
 | | Crystal structure of human tankyrase 2 in complex with Rucaparib | | Descriptor: | Rucaparib, SULFATE ION, TANKYRASE-2, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-04-18 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors
Acs Med.Chem.Lett., 5, 2014
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4AVW
 | | Crystal structure of human tankyrase 2 in complex with TIQ-A | | Descriptor: | 4H-thieno[2,3-c]isoquinolin-5-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2012-05-29 | | Release date: | 2012-06-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors
Acs Med.Chem.Lett., 5, 2014
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2XYX
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1PXO
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine | | Descriptor: | Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2003-07-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1PXM
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | | Descriptor: | 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2003-07-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1WX2
 | | Crystal Structure of the oxy-form of the copper-bound Streptomyces castaneoglobisporus tyrosinase complexed with a caddie protein prepared by the addition of hydrogenperoxide | | Descriptor: | COPPER (II) ION, MelC, NITRATE ION, ... | | Authors: | Matoba, Y, Kumagai, T, Yamamoto, A, Yoshitsu, H, Sugiyama, M. | | Deposit date: | 2005-01-19 | | Release date: | 2006-01-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic Evidence That the Dinuclear Copper Center of Tyrosinase Is Flexible during Catalysis
J.Biol.Chem., 281, 2006
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6FCV
 | | Structure of the human DDB1-CSA complex | | Descriptor: | DNA damage-binding protein 1, DNA excision repair protein ERCC-8 | | Authors: | Meulenbroek, E.M, Pannu, N.S. | | Deposit date: | 2017-12-21 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | TRiC controls transcription resumption after UV damage by regulating Cockayne syndrome protein A.
Nat Commun, 9, 2018
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1LGF
 | | Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis | | Descriptor: | P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Pylypenko, O, Zerbe, K, Vitali, F, Zhang, W, Vrijbloed, J.W, Robinson, J.A, Schlichting, I. | | Deposit date: | 2002-04-15 | | Release date: | 2002-12-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis.
J.Biol.Chem., 277, 2002
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1LG9
 | | Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis | | Descriptor: | P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Pylypenko, O, Zerbe, K, Vitali, F, Zhang, W, Vrijbloed, J.W, Robinson, J.A, Schlichting, I. | | Deposit date: | 2002-04-15 | | Release date: | 2002-12-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis.
J.Biol.Chem., 277, 2002
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8H3W
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1Q3G
 | | MurA (Asp305Ala) liganded with tetrahedral reaction intermediate | | Descriptor: | 1,2-ETHANEDIOL, 3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | | Authors: | Eschenburg, S, Kabsch, W, Healy, M.L, Schonbrunn, E. | | Deposit date: | 2003-07-29 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A New View of the Mechanisms of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) and 5-Enolpyruvylshikimate-3-phosphate Synthase (AroA) Derived from X-ray Structures of Their Tetrahedral Reaction Intermediate States.
J.Biol.Chem., 278, 2003
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4BEL
 | | BACE2 XAPERONE COMPLEX | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ... | | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | Deposit date: | 2013-03-11 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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6FNC
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1MYH
 | | HIGH RESOLUTION X-RAY STRUCTURES OF PIG METMYOGLOBIN AND TWO CD3 MUTANTS MB(LYS45-> ARG) AND MB(LYS45-> SER) | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Smerdon, S.J, Oldfield, T.J, Wilkinson, A.J, Dauter, Z, Petratos, K, Wilson, K.S. | | Deposit date: | 1992-02-27 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution X-ray structures of pig metmyoglobin and two CD3 mutants: Mb(Lys45----Arg) and Mb(Lys45----Ser).
Biochemistry, 31, 1992
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2ADM
 | | ADENINE-N6-DNA-METHYLTRANSFERASE TAQI | | Descriptor: | ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYLMETHIONINE | | Authors: | Schluckebier, G, Saenger, W. | | Deposit date: | 1996-07-15 | | Release date: | 1997-01-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
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3HZZ
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