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2ZAL
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BU of 2zal by Molmil
Crystal structure of E. coli isoaspartyl aminopeptidase/L-asparaginase in complex with L-aspartate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ASPARTIC ACID, CALCIUM ION, ...
著者Michalska, K, Brzezinski, K, Jaskolski, M.
登録日2007-10-07
公開日2007-10-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of isoaspartyl aminopeptidase in complex with L-aspartate
J.Biol.Chem., 280, 2005
2ZA5
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BU of 2za5 by Molmil
Crystal Structure of human tryptase with potent non-peptide inhibitor
分子名称: (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2
著者Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C.
登録日2007-10-02
公開日2008-02-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
3BSE
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BU of 3bse by Molmil
Crystal structure analysis of a 16-base-pair B-DNA
分子名称: CALCIUM ION, DNA (5'-D(*DA*DCP*DAP*DCP*DTP*DAP*DCP*DAP*DAP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DAP*DT)-3'), DNA (5'-D(*DG*DTP*DAP*DTP*DTP*DGP*DCP*DAP*DAP*DCP*DAP*DTP*DTP*DGP*DTP*DAP*DGP*DT)-3')
著者Narayana, N.
登録日2007-12-23
公開日2008-12-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic Analysis of a Sex-Specific Enhancer Element: Sequence-Dependent DNA Structure, Hydration, and Dynamics
J.Mol.Biol., 385, 2009
5HAO
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BU of 5hao by Molmil
Structure function studies of R. palustris RubisCO (M331A mutant; CABP-bound)
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Arbing, M.A, Shin, A, Satagopan, S, North, J.A, Tabita, F.R.
登録日2015-12-30
公開日2017-01-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.182 Å)
主引用文献Structure function studies of R. palustris RubisCO.
To Be Published
3C17
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BU of 3c17 by Molmil
Hexagonal Crystal Structure of Precursor E. coli Isoaspartyl Peptidase/l-Asparaginase (ECAIII) with Active-site T179A mutation
分子名称: CHLORIDE ION, L-asparaginase precursor, SODIUM ION
著者Michalska, K, Hernandez-Santoyo, A, Jaskolski, M.
登録日2008-01-22
公開日2008-04-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Mechanism of Autocatalytic Activation of Plant-type L-Asparaginases
J.Biol.Chem., 283, 2008
5HAT
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BU of 5hat by Molmil
Structure function studies of R. palustris RubisCO (S59F/M331A mutant; CABP-bound)
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Arbing, M.A, Leong, J.G, Cascio, D, Varaljay, V.A, Satagopan, S, North, J.A, Tabita, F.R.
登録日2015-12-30
公開日2017-01-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure function studies of R. palustris RubisCO.
To Be Published
5HK4
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BU of 5hk4 by Molmil
Structure function studies of R. palustris RubisCO (A47V-M331A mutant)
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, North, J.A, Tabita, F.R.
登録日2016-01-13
公開日2017-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure function studies of R. palustris RubisCO.
To Be Published
5HAN
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BU of 5han by Molmil
Structure function studies of R. palustris RubisCO (S59F mutant; CABP-bound)
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Arbing, M.A, Leong, J.G, Varaljay, V.A, Satagopan, S, North, J.A, Tabita, F.R.
登録日2015-12-30
公開日2017-01-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure function studies of R. palustris RubisCO
To Be Published
3APP
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BU of 3app by Molmil
STRUCTURE AND REFINEMENT OF PENICILLOPEPSIN AT 1.8 ANGSTROMS RESOLUTION
分子名称: PENICILLOPEPSIN
著者Sielecki, A.R, James, M.N.G.
登録日1990-11-27
公開日1991-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and refinement of penicillopepsin at 1.8 A resolution.
J.Mol.Biol., 163, 1983
3CAW
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BU of 3caw by Molmil
Crystal structure of o-succinylbenzoate synthase from Bdellovibrio bacteriovorus liganded with Mg
分子名称: MAGNESIUM ION, o-succinylbenzoate synthase
著者Fedorov, A.A, Fedorov, E.V, Sakai, A, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-02-20
公開日2008-03-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
5HJY
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BU of 5hjy by Molmil
Structure function studies of R. palustris RubisCO (I165T mutant; CABP-bound)
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, North, J.A, Tabita, F.R.
登録日2016-01-13
公開日2017-01-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure function studies of R. palustris RubisCO.
To Be Published
3CAJ
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BU of 3caj by Molmil
Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ...
著者Di Fiore, A, De Simone, G.
登録日2008-02-20
公開日2008-04-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CDP
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BU of 3cdp by Molmil
Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid
分子名称: (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F.
登録日2008-02-27
公開日2009-01-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists
Bioorg.Med.Chem., 20, 2012
3CDS
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BU of 3cds by Molmil
Crystal structure of the complex between PPAR-gamma and the agonist LT248 (clofibric acid analogue)
分子名称: (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F.
登録日2008-02-27
公開日2008-12-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
2CBP
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BU of 2cbp by Molmil
CUCUMBER BASIC PROTEIN, A BLUE COPPER PROTEIN
分子名称: COPPER (II) ION, CUCUMBER BASIC PROTEIN
著者Guss, J.M, Freeman, H.C.
登録日1996-03-16
公開日1997-04-21
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of a phytocyanin, the basic blue protein from cucumber, refined at 1.8 A resolution.
J.Mol.Biol., 262, 1996
3CHB
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BU of 3chb by Molmil
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLERA TOXIN, UNKNOWN ATOM OR ION, ...
著者Merritt, E.A, Hol, W.G.J.
登録日1998-03-24
公開日1998-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The 1.25 A resolution refinement of the cholera toxin B-pentamer: evidence of peptide backbone strain at the receptor-binding site.
J.Mol.Biol., 282, 1998
3CPA
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BU of 3cpa by Molmil
X-RAY CRYSTALLOGRAPHIC INVESTIGATION OF SUBSTRATE BINDING TO CARBOXYPEPTIDASE A AT SUBZERO TEMPERATURE
分子名称: CARBOXYPEPTIDASE A, GLYCINE, TYROSINE, ...
著者Lipscomb, W.N.
登録日1982-03-24
公開日1982-07-29
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic investigation of substrate binding to carboxypeptidase A at subzero temperature.
Proc.Natl.Acad.Sci.USA, 83, 1986
3CYT
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BU of 3cyt by Molmil
REDOX CONFORMATION CHANGES IN REFINED TUNA CYTOCHROME C
分子名称: CYTOCHROME C, HEME C
著者Takano, T.
登録日1980-07-01
公開日1980-09-16
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Redox conformation changes in refined tuna cytochrome c.
Proc.Natl.Acad.Sci.USA, 77, 1980
2GVF
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BU of 2gvf by Molmil
HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021
分子名称: (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ...
著者Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V.
登録日2006-05-02
公開日2007-01-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
2D09
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BU of 2d09 by Molmil
A Role for Active Site Water Molecules and Hydroxyl Groups of Substrate for Oxygen Activation in Cytochrome P450 158A2
分子名称: FLAVIOLIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhao, B, Waterman, M.R.
登録日2005-07-30
公開日2005-10-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
2H6Z
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BU of 2h6z by Molmil
Crystal Structure of Thioredoxin Mutant E44D in Hexagonal (p61) Space Group
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
著者Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2006-06-01
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A stability pattern of protein hydrophobic mutations that reflects evolutionary structural optimization.
Biophys.J., 89, 2005
8D4Z
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BU of 8d4z by Molmil
Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763
分子名称: 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
著者Bell, J.A.
登録日2022-06-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action
To Be Published
8DQS
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BU of 8dqs by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023032
分子名称: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[4-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2022-07-19
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023032
To Be Published
8E1Q
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BU of 8e1q by Molmil
The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2022-08-11
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044
To Be Published
8E21
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BU of 8e21 by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023034
分子名称: 5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2022-08-12
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023034
To Be Published

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