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7JLL
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BU of 7jll by Molmil
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
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-07-29
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
3N25
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BU of 3n25 by Molmil
The structure of muscle pyruvate kinase in complex with proline, pyruvate, and Mn2+
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Fenton, A.W, Johnson, T.A, Holyoak, T.
登録日2010-05-17
公開日2010-07-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The pyruvate kinase model system, a cautionary tale for the use of osmolyte perturbations to support conformational equilibria in allostery.
Protein Sci., 19, 2010
4HKO
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BU of 4hko by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II (E177Q) in the apo form
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Langan, P, Wan, Q, Coates, L, Kovalevsky, A.
登録日2012-10-15
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4AP8
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BU of 4ap8 by Molmil
Crystal structure of human Molybdopterin synthase catalytic subunit (MOCS2B)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MOLYBDOPTERIN SYNTHASE CATALYTIC SUBUNIT
著者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.
登録日2012-03-30
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Crystal Structure of Human Molybdopterin Synthase Catalytic Subunit (Mocs2B)
To be Published
4OEH
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BU of 4oeh by Molmil
X-ray Structure of Uridine Phosphorylase from Vibrio cholerae Complexed with Uracil at 1.91 A Resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ...
著者Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
登録日2014-01-13
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献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
3E04
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BU of 3e04 by Molmil
Crystal structure of human fumarate hydratase
分子名称: 1,2-ETHANEDIOL, Fumarate hydratase
著者Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-07-30
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human fumarate hydratase
TO BE PUBLISHED
4HO5
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BU of 4ho5 by Molmil
Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with TDP-glucose
分子名称: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, Glucose-1-phosphate thymidylyltransferase, SULFATE ION
著者Chen, T.J, Chien, W.T, Lin, C.C, Wang, W.C.
登録日2012-10-22
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with TDP-glucose
TO BE PUBLISHED
6L6K
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BU of 6l6k by Molmil
Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
分子名称: 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, CALCIUM ION, Nuclear receptor coactivator 1, ...
著者Shimizu, K, Numoto, N, Nakano, S, Makishima, M, Kakuta, H, Ito, N.
登録日2019-10-29
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
To Be Published
3J2T
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BU of 3j2t by Molmil
An improved model of the human apoptosome
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Apoptotic protease-activating factor 1, Cytochrome c, ...
著者Yuan, S, Topf, M, Akey, C.W.
登録日2012-12-23
公開日2013-04-10
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (9.5 Å)
主引用文献Changes in apaf-1 conformation that drive apoptosome assembly.
Biochemistry, 52, 2013
5REH
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BU of 5reh by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z111507846
分子名称: 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea, 3C-like proteinase, DIMETHYL SULFOXIDE
著者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.
登録日2020-03-15
公開日2020-03-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
4NUG
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BU of 4nug by Molmil
Crystal structure of HIV-1 broadly neutralizing antibody PGT151
分子名称: HEXAETHYLENE GLYCOL, PGT151 heavy chain, PGT151 light chain
著者Blattner, C, Wilson, I.A.
登録日2013-12-03
公開日2014-05-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8617 Å)
主引用文献Structural Delineation of a Quaternary, Cleavage-Dependent Epitope at the gp41-gp120 Interface on Intact HIV-1 Env Trimers.
Immunity, 40, 2014
4NKS
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BU of 4nks by Molmil
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 3
分子名称: Fibroblast growth factor receptor 1, N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[5-(2-phenylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
著者Norman, R.A, Klein, T.
登録日2013-11-13
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
4CLK
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BU of 4clk by Molmil
Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate
分子名称: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
3NZK
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BU of 3nzk by Molmil
Structure of LpxC from Yersinia enterocolitica Complexed with CHIR090 Inhibitor
分子名称: 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, ...
著者Cole, K.E, Christianson, D.W.
登録日2010-07-16
公開日2011-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Metal-Dependent Deacetylase LpxC from Yersinia enterocolitica Complexed with the Potent Inhibitor CHIR-090 .
Biochemistry, 50, 2010
1RSN
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BU of 1rsn by Molmil
RIBONUCLEASE (RNASE SA) (E.C.3.1.4.8) COMPLEXED WITH EXO-2',3'-CYCLOPHOSPHOROTHIOATE
分子名称: GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE, RIBONUCLEASE SA, SULFATE ION
著者Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S.
登録日1995-09-01
公開日1995-12-07
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complex of ribonuclease Sa with a cyclic nucleotide and a proposed model for the reaction intermediate.
Eur.J.Biochem., 216, 1993
5YJM
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BU of 5yjm by Molmil
Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative
分子名称: 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, ...
著者Sugawara, H.
登録日2017-10-11
公開日2017-12-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Bioorg. Med. Chem. Lett., 28, 2018
2CDV
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BU of 2cdv by Molmil
REFINED STRUCTURE OF CYTOCHROME C3 AT 1.8 ANGSTROMS RESOLUTION
分子名称: CYTOCHROME C3, HEME C
著者Higuchi, Y, Kusunoki, M, Matsuura, Y, Yasuoka, N, Kakudo, M.
登録日1983-11-15
公開日1984-02-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Refined structure of cytochrome c3 at 1.8 A resolution
J.Mol.Biol., 172, 1984
1VL1
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BU of 1vl1 by Molmil
Crystal structure of 6-phosphogluconolactonase (TM1154) from Thermotoga maritima at 1.70A resolution
分子名称: 6-phosphogluconolactonase, CITRIC ACID
著者Joint Center for Structural Genomics (JCSG)
登録日2004-06-30
公開日2004-08-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of 6-phosphogluconolactonase (TM1154) from Thermotoga maritima at 1.70 A resolution
To be published
4CJF
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BU of 4cjf by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ...
著者Peat, T.S.
登録日2013-12-20
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
3EHE
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BU of 3ehe by Molmil
Crystal structure of UDP-glucose 4 epimerase (galE-1) from Archaeoglobus fulgidus
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase (GalE-1)
著者Agarwal, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-09-12
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of galE-1 from Archaeoglobus fulgidus
To be Published
1HDU
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BU of 1hdu by Molmil
Crystal structure of bovine pancreatic carboxypeptidase A complexed with aminocarbonylphenylalanine at 1.75 A
分子名称: CARBOXYPEPTIDASE A, D-[(AMINO)CARBONYL]PHENYLALANINE, ZINC ION
著者Cho, J.H, Ha, N.-C, Chung, S.J, Kim, D.H, Choi, K.Y, Oh, B.-H.
登録日2000-11-17
公開日2001-11-15
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
4CLZ
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BU of 4clz by Molmil
Crystal structure of human soluble Adenylyl Cyclase with Inhibitor 4, 4'-Diisothiocyano-2,2'-stilbenedisulfonic acid
分子名称: 1,2-ETHANEDIOL, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ACETATE ION, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
3UOA
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BU of 3uoa by Molmil
Crystal structure of the MALT1 paracaspase (P21 form)
分子名称: MAGNESIUM ION, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, Z-Val-Arg-Pro-DL-Arg-fluoromethylketone
著者Jeffrey, P.D, Yu, J.W, Shi, Y.
登録日2011-11-16
公開日2011-12-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the mucosa-associated lymphoid tissue lymphoma translocation 1 (MALT1) paracaspase region.
Proc.Natl.Acad.Sci.USA, 108, 2011
2PKC
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BU of 2pkc by Molmil
CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION
分子名称: PROTEINASE K, SODIUM ION
著者Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W.
登録日1993-06-04
公開日1994-01-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of calcium-free proteinase K at 1.5-A resolution.
J.Biol.Chem., 269, 1994
4LF2
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BU of 4lf2 by Molmil
Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with sulfate and magnesium
分子名称: CARBONATE ION, MAGNESIUM ION, Ribulose bisphosphate carboxylase, ...
著者Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J.
登録日2013-06-26
公開日2014-06-25
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献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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