7JLL
 
 | | The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2020-07-29 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The internal aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site and L-Tryptophan at the enzyme beta-site.
To be Published
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3N25
 | | The structure of muscle pyruvate kinase in complex with proline, pyruvate, and Mn2+ | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Fenton, A.W, Johnson, T.A, Holyoak, T. | | Deposit date: | 2010-05-17 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | The pyruvate kinase model system, a cautionary tale for the use of osmolyte perturbations to support conformational equilibria in allostery.
Protein Sci., 19, 2010
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4HKO
 | | Crystal Structures of Mutant Endo-beta-1,4-xylanase II (E177Q) in the apo form | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | | Deposit date: | 2012-10-15 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4AP8
 | | Crystal structure of human Molybdopterin synthase catalytic subunit (MOCS2B) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MOLYBDOPTERIN SYNTHASE CATALYTIC SUBUNIT | | Authors: | Vollmar, M, Kiyani, W, Krojer, T, Goubin, S, Allerston, C, Froese, D.S, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W. | | Deposit date: | 2012-03-30 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Crystal Structure of Human Molybdopterin Synthase Catalytic Subunit (Mocs2B)
To be Published
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4OEH
 | | X-ray Structure of Uridine Phosphorylase from Vibrio cholerae Complexed with Uracil at 1.91 A Resolution | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ... | | Authors: | Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2014-01-13 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | X-ray structures of uridine phosphorylase from Vibrio cholerae in complexes with uridine, thymidine, uracil, thymine, and phosphate anion: Substrate specificity of bacterial uridine phosphorylases.
To Be Published, Crystallogr. Rep., 2016
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3E04
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4HO5
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6L6K
 | | Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 | | Descriptor: | 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, CALCIUM ION, Nuclear receptor coactivator 1, ... | | Authors: | Shimizu, K, Numoto, N, Nakano, S, Makishima, M, Kakuta, H, Ito, N. | | Deposit date: | 2019-10-29 | | Release date: | 2020-11-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
To Be Published
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3J2T
 | | An improved model of the human apoptosome | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Apoptotic protease-activating factor 1, Cytochrome c, ... | | Authors: | Yuan, S, Topf, M, Akey, C.W. | | Deposit date: | 2012-12-23 | | Release date: | 2013-04-10 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (9.5 Å) | | Cite: | Changes in apaf-1 conformation that drive apoptosome assembly.
Biochemistry, 52, 2013
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5REH
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z111507846 | | Descriptor: | 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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4NUG
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4NKS
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4CLK
 | | Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate | | Descriptor: | 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ... | | Authors: | Kleinboelting, S, Weyand, M, Steegborn, C. | | Deposit date: | 2014-01-15 | | Release date: | 2014-03-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3NZK
 | | Structure of LpxC from Yersinia enterocolitica Complexed with CHIR090 Inhibitor | | Descriptor: | GLYCEROL, N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | Authors: | Cole, K.E, Christianson, D.W. | | Deposit date: | 2010-07-16 | | Release date: | 2011-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the Metal-Dependent Deacetylase LpxC from Yersinia enterocolitica Complexed with the Potent Inhibitor CHIR-090 .
Biochemistry, 50, 2010
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1RSN
 | | RIBONUCLEASE (RNASE SA) (E.C.3.1.4.8) COMPLEXED WITH EXO-2',3'-CYCLOPHOSPHOROTHIOATE | | Descriptor: | GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE, RIBONUCLEASE SA, SULFATE ION | | Authors: | Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S. | | Deposit date: | 1995-09-01 | | Release date: | 1995-12-07 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Complex of ribonuclease Sa with a cyclic nucleotide and a proposed model for the reaction intermediate.
Eur.J.Biochem., 216, 1993
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5YJM
 | | Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | | Authors: | Sugawara, H. | | Deposit date: | 2017-10-11 | | Release date: | 2017-12-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Bioorg. Med. Chem. Lett., 28, 2018
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2CDV
 | | REFINED STRUCTURE OF CYTOCHROME C3 AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | CYTOCHROME C3, HEME C | | Authors: | Higuchi, Y, Kusunoki, M, Matsuura, Y, Yasuoka, N, Kakudo, M. | | Deposit date: | 1983-11-15 | | Release date: | 1984-02-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Refined structure of cytochrome c3 at 1.8 A resolution
J.Mol.Biol., 172, 1984
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1VL1
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4CJF
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-20 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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3EHE
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1HDU
 | | Crystal structure of bovine pancreatic carboxypeptidase A complexed with aminocarbonylphenylalanine at 1.75 A | | Descriptor: | CARBOXYPEPTIDASE A, D-[(AMINO)CARBONYL]PHENYLALANINE, ZINC ION | | Authors: | Cho, J.H, Ha, N.-C, Chung, S.J, Kim, D.H, Choi, K.Y, Oh, B.-H. | | Deposit date: | 2000-11-17 | | Release date: | 2001-11-15 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Insight Into the Stereochemistry in the Inhibition of Carboxypeptidase a with N-(Hydroxyaminocarbonyl)Phenylalanine: Binding Modes of an Enantiomeric Pair of the Inhibitor to Carboxypeptidase A
Bioorg.Med.Chem., 10, 2002
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4CLZ
 | | Crystal structure of human soluble Adenylyl Cyclase with Inhibitor 4, 4'-Diisothiocyano-2,2'-stilbenedisulfonic acid | | Descriptor: | 1,2-ETHANEDIOL, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ACETATE ION, ... | | Authors: | Kleinboelting, S, Weyand, M, Steegborn, C. | | Deposit date: | 2014-01-15 | | Release date: | 2014-03-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3UOA
 | | Crystal structure of the MALT1 paracaspase (P21 form) | | Descriptor: | MAGNESIUM ION, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, Z-Val-Arg-Pro-DL-Arg-fluoromethylketone | | Authors: | Jeffrey, P.D, Yu, J.W, Shi, Y. | | Deposit date: | 2011-11-16 | | Release date: | 2011-12-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the mucosa-associated lymphoid tissue lymphoma translocation 1 (MALT1) paracaspase region.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2PKC
 | | CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION | | Descriptor: | PROTEINASE K, SODIUM ION | | Authors: | Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W. | | Deposit date: | 1993-06-04 | | Release date: | 1994-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of calcium-free proteinase K at 1.5-A resolution.
J.Biol.Chem., 269, 1994
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4LF2
 | | Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with sulfate and magnesium | | Descriptor: | CARBONATE ION, MAGNESIUM ION, Ribulose bisphosphate carboxylase, ... | | Authors: | Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J. | | Deposit date: | 2013-06-26 | | Release date: | 2014-06-25 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris.
J.Biol.Chem., 289, 2014
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