7R9C
 
 | | Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | | Authors: | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-06-29 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
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1HU9
 | | LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH 4-HYDROPEROXY-2-METHOXY-PHENOL | | Descriptor: | 4-HYDROPEROXY-2-METHOXY-PHENOL, FE (III) ION, LIPOXYGENASE-3 | | Authors: | Zhou, K, Skrzypczak-Jankun, E, McCabe, N.P, Selman, S.H, Jankun, J. | | Deposit date: | 2001-01-04 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of curcumin in complex with lipoxygenase and its significance in
cancer.
INT.J.MOL.MED., 12, 2003
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4U2I
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4W99
 | | Apo-structure of the Y79F,W322E-double mutant of Etr1p | | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ... | | Authors: | Quade, N, Voegeli, B, Rosenthal, R, Erb, T.J. | | Deposit date: | 2014-08-27 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The use of ene adducts to study and engineer enoyl-thioester reductases.
Nat.Chem.Biol., 11, 2015
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4WBQ
 | | Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing. | | Descriptor: | CALCIUM ION, QDE-2-interacting protein | | Authors: | Boland, A, Weinert, T, Weichenrieder, O, Wang, M. | | Deposit date: | 2014-09-03 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.693 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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1EQT
 | | MET-RANTES | | Descriptor: | SULFATE ION, T-CELL SPECIFIC RANTES PROTEIN | | Authors: | Hoover, D.M, Shaw, J, Gryczynski, Z, Proudfoot, A.E.I, Wells, T. | | Deposit date: | 2000-04-06 | | Release date: | 2000-04-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of MET-RANTES: Comparison with Native RANTES and AOP-RANTES
PROTEIN PEPT.LETT., 7, 2000
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1JNQ
 | | LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH EPIGALLOCATHECHIN (EGC) | | Descriptor: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, FE (II) ION, lipoxygenase-3 | | Authors: | Zhou, K, Skrzypczak-Jankun, E, Jankun, J. | | Deposit date: | 2001-07-24 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of lipoxygenase by (-)-epigallocatechin gallate: X-ray analysis at 2.1 A reveals degradation of EGCG
and shows soybean LOX-3 complex with EGC instead.
INT.J.MOL.MED., 12, 2003
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4WBX
 | | Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data | | Descriptor: | 2-keto acid:ferredoxin oxidoreductase subunit alpha | | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2014-09-04 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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4WAU
 | | Crystal structure of CENP-M solved by native-SAD phasing | | Descriptor: | Centromere protein M | | Authors: | Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M. | | Deposit date: | 2014-09-01 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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4WAB
 | | Crystal structure of mPGES1 solved by native-SAD phasing | | Descriptor: | 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase | | Authors: | Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M. | | Deposit date: | 2014-08-29 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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4WAS
 | | STRUCTURE OF THE ETR1P/NADP/CROTONYL-COA COMPLEX | | Descriptor: | CROTONYL COENZYME A, Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, ... | | Authors: | Quade, N, Voegeli, B, Rosenthal, R, Capitani, G, Erb, T.J. | | Deposit date: | 2014-08-31 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The use of ene adducts to study and engineer enoyl-thioester reductases.
Nat.Chem.Biol., 11, 2015
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3OV5
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3MK4
 | | X-Ray structure of human PEX3 in complex with a PEX19 derived peptide | | Descriptor: | Peroxisomal biogenesis factor 19, Peroxisomal biogenesis factor 3 | | Authors: | Schmidt, F, Treiber, N, Dodt, G, Stehle, T. | | Deposit date: | 2010-04-14 | | Release date: | 2010-06-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Insights into peroxisome function from the structure of PEX3 in complex with a soluble fragment of PEX19
J.Biol.Chem., 285, 2010
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7M2N
 | | Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | Deposit date: | 2021-03-17 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
 | | Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | Deposit date: | 2021-03-17 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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4TTW
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4TTX
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4TO7
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4TQ7
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4TTZ
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3IID
 | | Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form A) | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1, ... | | Authors: | Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K. | | Deposit date: | 2009-07-31 | | Release date: | 2009-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation.
Nat.Struct.Mol.Biol., 16, 2009
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3IIF
 | | Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form B) | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1 | | Authors: | Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K. | | Deposit date: | 2009-07-31 | | Release date: | 2009-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation.
Nat.Struct.Mol.Biol., 16, 2009
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3TPI
 | | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, ISOLEUCINE, ... | | Authors: | Huber, R, Bode, W, Deisenhofer, J, Schwager, P. | | Deposit date: | 1982-09-27 | | Release date: | 1983-01-18 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
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5AA6
 | | Homohexameric Structure of the second Vanadate-Dependent Bromoperoxidase (AnII) from Ascophyllum nodosum | | Descriptor: | VANADATE ION, VANADIUM-DEPENDENT BROMOPEROXIDASE 2 | | Authors: | Radlow, M, Jeudy, A, Dabin, J, Delage, L, Leblanc, C, Hartung, J, Czjzek, M. | | Deposit date: | 2015-07-23 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Homohexameric Structure of the Second Vanadate Dependant Bromoperoxidase from Ascophyllum Nodosum
To be Published
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3CNR
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