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1BBO
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BU of 1bbo by Molmil
HIGH-RESOLUTION SOLUTION STRUCTURE OF THE DOUBLE CYS2*HIS2 ZINC FINGER FROM THE HUMAN ENHANCER BINDING PROTEIN MBP-1
分子名称: HUMAN ENHANCER-BINDING PROTEIN MBP-1, ZINC ION
著者Clore, G.M, Omichinski, J.G, Gronenborn, A.M.
登録日1992-05-01
公開日1993-10-31
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of the double Cys2His2 zinc finger from the human enhancer binding protein MBP-1.
Biochemistry, 31, 1992
2Z3Y
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BU of 2z3y by Molmil
Crystal structure of Lysine-specific demethylase1
分子名称: Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE
著者Mimasu, S, Sengoku, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-06-08
公開日2008-01-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of histone demethylase LSD1 and tranylcypromine at 2.25A
Biochem.Biophys.Res.Commun., 366, 2008
1JRL
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BU of 1jrl by Molmil
Crystal structure of E. coli Lysophospholiase L1/Acyl-CoA Thioesterase I/Protease I L109P mutant
分子名称: Acyl-CoA Thioesterase I, IMIDAZOLE, SULFATE ION
著者Lo, Y.-C, Lin, S.-C, Shaw, J.-F, Liaw, Y.-C.
登録日2001-08-14
公開日2003-07-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Escherichia coli Thioesterase I/Protease I/Lysophospholipase L1: Consensus Sequence Blocks Constitute the Catalytic Center of SGNH-hydrolases through a Conserved Hydrogen Bond Network
J.Mol.Biol., 330, 2003
2BBM
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BU of 2bbm by Molmil
SOLUTION STRUCTURE OF A CALMODULIN-TARGET PEPTIDE COMPLEX BY MULTIDIMENSIONAL NMR
分子名称: CALCIUM ION, CALMODULIN, MYOSIN LIGHT CHAIN KINASE
著者Clore, G.M, Bax, A, Ikura, M, Gronenborn, A.M.
登録日1992-07-16
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a calmodulin-target peptide complex by multidimensional NMR.
Science, 256, 1992
4K5Z
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BU of 4k5z by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
3P5L
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BU of 3p5l by Molmil
Human Carbonic Anhydrase complexed with sodium 4-cyano-4-phenylpiperidine-1-carbodithioate
分子名称: 4-cyano-4-phenylpiperidine-1-carbodithioic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations.
Chem.Commun.(Camb.), 48, 2012
4BYA
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BU of 4bya by Molmil
Calmodulin, C-terminal domain, M144H mutant
分子名称: CALCIUM ION, CALMODULIN, C-TERMINAL DOMAIN, ...
著者Moroz, Y.S, Wu, Y, van Nuland, N.A.J, Korendovych, I.V.
登録日2013-07-18
公開日2014-06-18
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献New Tricks for Old Proteins: Single Mutations in a Nonenzymatic Protein Give Rise to Various Enzymatic Activities.
J.Am.Chem.Soc., 137, 2015
1BG3
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BU of 1bg3 by Molmil
RAT BRAIN HEXOKINASE TYPE I COMPLEX WITH GLUCOSE AND INHIBITOR GLUCOSE-6-PHOSPHATE
分子名称: 6-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, HEXOKINASE, ...
著者Mulichak, A.M, Garavito, R.M.
登録日1998-06-04
公開日1999-06-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of mammalian hexokinase-1.
Nat.Struct.Biol., 5, 1998
1R7C
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BU of 1r7c by Molmil
NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure, Sample in 50% tfe)
分子名称: Genome polyprotein
著者Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D.
登録日2003-10-21
公開日2004-08-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A.
J.Biol.Chem., 279, 2004
6S5C
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BU of 6s5c by Molmil
Square conformation of KtrA WT ring with bound ATP and calcium
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Ktr system potassium uptake protein A
著者Teixeira-Duarte, C.M, Fonseca, F, Morais-Cabral, J.H.
登録日2019-07-01
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Activation of a nucleotide-dependent RCK domain requires binding of a cation cofactor to a conserved site.
Elife, 8, 2019
1R7F
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BU of 1r7f by Molmil
NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Ensemble of 43 structures. Sample in 100mM SDS)
分子名称: Genome polyprotein
著者Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D.
登録日2003-10-21
公開日2004-08-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A.
J.Biol.Chem., 279, 2004
7JNX
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BU of 7jnx by Molmil
Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide
分子名称: 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.286 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2020-01-13
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
7ICJ
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BU of 7icj by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CUCL2 (0.1 MILLIMOLAR)
分子名称: COPPER (II) ION, DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*G)-3'), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-19
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7JO0
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BU of 7jo0 by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide
分子名称: Carbonic anhydrase 2, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ZINC ION
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.607 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
1BAL
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BU of 1bal by Molmil
THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE E3-BINDING DOMAIN OF THE DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE CORE FROM THE 2-OXOGLUTARATE DEHYDROGENASE MULTIENZYME COMPLEX OF (ESCHERICHIA COLI)
分子名称: DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE
著者Clore, G.M, Robien, M.A, Gronenborn, A.M.
登録日1992-02-20
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure of the E3-binding domain of the dihydrolipoamide succinyltransferase core from the 2-oxoglutarate dehydrogenase multienzyme complex of Escherichia coli.
Biochemistry, 31, 1992
6VP0
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BU of 6vp0 by Molmil
Human Diacylglycerol Acyltransferase 1 in complex with oleoyl-CoA
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Diacylglycerol O-acyltransferase 1, Lauryl Maltose Neopentyl Glycol, ...
著者Wang, L, Qian, H, Han, Y, Nian, Y, Ren, Z, Zhang, H, Hu, L, Prasad, B.V.V, Yan, N, Zhou, M.
登録日2020-02-01
公開日2020-05-13
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure and mechanism of human diacylglycerol O-acyltransferase 1.
Nature, 581, 2020
6RTB
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BU of 6rtb by Molmil
cryo-em structure of alpha-synuclein fibril polymorph 2B
分子名称: Alpha-synuclein
著者Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H.
登録日2019-05-22
公開日2019-06-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
2FZ8
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BU of 2fz8 by Molmil
Human Aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking).
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
著者Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G.
登録日2006-02-09
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
2BBN
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BU of 2bbn by Molmil
SOLUTION STRUCTURE OF A CALMODULIN-TARGET PEPTIDE COMPLEX BY MULTIDIMENSIONAL NMR
分子名称: CALCIUM ION, CALMODULIN, MYOSIN LIGHT CHAIN KINASE
著者Clore, G.M, Bax, A, Ikura, M, Gronenborn, A.M.
登録日1992-07-16
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a calmodulin-target peptide complex by multidimensional NMR.
Science, 256, 1992
1R9P
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BU of 1r9p by Molmil
Solution NMR Structure Of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24.
分子名称: NifU-like protein, ZINC ION
著者Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2003-10-30
公開日2004-11-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site.
J.Mol.Biol., 344, 2004
3P5A
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BU of 3p5a by Molmil
Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Aggarwal, M, McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Dithiocarbamates strongly inhibit carbonic anhydrases and show antiglaucoma action in vivo
J.Med.Chem., 55, 2012
6RVL
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Crystal structure of hCA II with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-?N'-phenyl-
分子名称: 1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea, Carbonic anhydrase 2, ZINC ION
著者Di Fiore, A, De Simone, G.
登録日2019-05-31
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
8FOA
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Cryo-EM structure of human TRPV6 in complex with the natural phytoestrogen genistein
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
著者Neuberger, A, Yelshanskaya, M.V, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2022-12-30
公開日2023-05-24
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structural mechanism of human oncochannel TRPV6 inhibition by the natural phytoestrogen genistein.
Nat Commun, 14, 2023
6S7H
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Human CD73 (5'-nucleotidase) in complex with PSB12489 (an AOPCP derivative) in the closed state
分子名称: (N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP, 5'-nucleotidase, CALCIUM ION, ...
著者Pippel, J, Strater, N.
登録日2019-07-04
公開日2020-07-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy
Adv Ther, 2019

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