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3SMC
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BU of 3smc by Molmil
Macrophage Migration Inhibitory Factor (MIF) with Covalently Bound L-sulforaphane
分子名称: CHLORIDE ION, Macrophage migration inhibitory factor, N-{4-[(R)-methylsulfinyl]butyl}thioformamide, ...
著者Crichlow, G.V, Lolis, E.J.
登録日2011-06-27
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural interactions dictate the kinetics of macrophage migration inhibitory factor inhibition by different cancer-preventive isothiocyanates.
Biochemistry, 51, 2012
6JI2
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BU of 6ji2 by Molmil
Crystal structure of archaeal ribosomal protein aP1, aPelota, and GTP-bound aEF1A complex
分子名称: Archaeal ribosomal stalk protein aP1, Elongation factor 1-alpha, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Maruyama, K, Imai, H, Kawamura, M, Ishino, S, Ishino, Y, Ito, K, Uchiumi, T.
登録日2019-02-20
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Switch of the interactions between the ribosomal stalk and EF1A in the GTP- and GDP-bound conformations.
Sci Rep, 9, 2019
3R3K
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BU of 3r3k by Molmil
Crystal structure of a parallel 6-helix coiled coil
分子名称: 1,2-ETHANEDIOL, CChex-Phi22 helix, CHLORIDE ION, ...
著者Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L.
登録日2011-03-16
公開日2011-11-16
最終更新日2011-11-30
実験手法X-RAY DIFFRACTION (2.2009 Å)
主引用文献A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
4CIY
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BU of 4ciy by Molmil
Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-((1R)-1-hydroxy-2- phenyl)ethylcyclohex-2-en-1-carboxylic acid
分子名称: (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
登録日2013-12-17
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.
J. Med. Chem., 57, 2014
3R46
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BU of 3r46 by Molmil
Crystal structure of a parallel 6-helix coiled coil CC-hex-D24
分子名称: CHLORIDE ION, GLYCEROL, SODIUM ION, ...
著者Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L.
登録日2011-03-17
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
6GUY
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BU of 6guy by Molmil
Room temperature structure of Archaerhodopsin-3 via LCP extruder using synchrotron radiation
分子名称: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
著者Moraes, I, Judge, P.J, Axford, D, Bada Juarez, J.F, Vinals, J, Watts, A.
登録日2018-06-19
公開日2019-10-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Room temperature structure of Archaerhodopsin-3 via LCP extruder using synchrotron radiation
To Be Published
4C3X
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BU of 4c3x by Molmil
Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1
分子名称: 3-KETOSTEROID DEHYDROGENASE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rohman, A, van Oosterwijk, N, Thunnissen, A.M.W.H, Dijkstra, B.W.
登録日2013-08-28
公開日2013-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure and Site-Directed Mutagenesis of 3-Ketosteroid Delta1-Dehydrogenase from Rhodococcus Erythropolis Sq1 Explain its Catalytic Mechanism
J.Biol.Chem., 288, 2013
4BVO
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BU of 4bvo by Molmil
Legionella pneumophila NTPDase1 crystal form VI (part-open) in complex with polytungstate POM-1
分子名称: 12-POLYTUNGSTATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, L(+)-TARTARIC ACID, ...
著者Zebisch, M, Schaefer, P, Straeter, N.
登録日2013-06-27
公開日2014-02-12
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of Legionella Pneumophila Ntpdase1 in Complex with Polyoxometallates.
Acta Crystallogr.,Sect.D, 70, 2014
2O8M
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BU of 2o8m by Molmil
Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease
分子名称: Protease, SODIUM ION, ZINC ION
著者Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N.
登録日2006-12-12
公開日2007-10-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
J.Med.Chem., 50, 2007
2OK7
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BU of 2ok7 by Molmil
Ferredoxin-NADP+ reductase from Plasmodium falciparum with 2'P-AMP
分子名称: ADENOSINE-2'-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase, ...
著者Milani, M, Mastrangelo, E, Bolognesi, M.
登録日2007-01-16
公開日2007-02-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis.
J.Mol.Biol., 367, 2007
3B3C
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BU of 3b3c by Molmil
Crystal structure of the M180A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine phosphonic acid
分子名称: Bacterial leucyl aminopeptidase, LEUCINE PHOSPHONIC ACID, POTASSIUM ION, ...
著者Ataie, N.J, Hoang, Q.Q, Petsko, G.A, Ringe, D.
登録日2007-10-19
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus.
Biochemistry, 47, 2008
4DOC
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BU of 4doc by Molmil
Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate:binding of S-isomer
分子名称: 5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ...
著者Batra, V.K.
登録日2012-02-09
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
6HXI
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BU of 6hxi by Molmil
Structure of ATP citrate lyase from Methanothrix soehngenii in complex with citrate and coenzyme A
分子名称: ACETATE ION, CITRATE ANION, COENZYME A, ...
著者Verstraete, K, Verschueren, K.
登録日2018-10-17
公開日2019-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
1ZJN
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BU of 1zjn by Molmil
Human DNA Polymerase beta complexed with DNA containing an A-A mismatched primer terminus with dGTP
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H.
登録日2005-04-29
公開日2005-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Nucleotide-induced DNA polymerase active site motions accommodating a mutagenic DNA intermediate.
STRUCTURE, 13, 2005
4E1J
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BU of 4e1j by Molmil
Crystal structure of glycerol kinase in complex with glycerol from Sinorhizobium meliloti 1021
分子名称: CHLORIDE ION, GLYCEROL, Glycerol kinase, ...
著者Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Siedel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-03-06
公開日2012-03-21
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal structure of glycerol kinase in complex with glycerol from Sinorhizobium meliloti 1021
To be Published
2O5W
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BU of 2o5w by Molmil
Structure of the E. coli dihydroneopterin triphosphate pyrophosphohydrolase in complex with Sm+3 and pyrophosphate
分子名称: PYROPHOSPHATE, SAMARIUM (III) ION, SODIUM ION, ...
著者Gabelli, S.B, Bianchet, M.A, Amzel, L.M.
登録日2006-12-06
公開日2007-08-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and function of the E. coli dihydroneopterin triphosphate pyrophosphatase: a Nudix enzyme involved in folate biosynthesis.
Structure, 15, 2007
3AR4
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BU of 3ar4 by Molmil
Calcium pump crystal structure with bound ATP and TG in the absence of Ca2+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
著者Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S.
登録日2010-11-24
公開日2011-02-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
3AR9
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BU of 3ar9 by Molmil
Calcium pump crystal structure with bound BeF3, TNP-AMP and TG in the absence of calcium
分子名称: 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate), BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S.
登録日2010-11-24
公開日2011-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
3AR3
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BU of 3ar3 by Molmil
Calcium pump crystal structure with bound ADP and TG
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
著者Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S.
登録日2010-11-24
公開日2011-02-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
6HAV
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BU of 6hav by Molmil
Crystal structure of [Fe]-hydrogenase (Hmd) from Methanococcus aeolicus in complex with FeGP and methenyl-tetrahydromethanopterin (close form A) at 1.06 A resolution
分子名称: 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, ...
著者Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S.
登録日2018-08-08
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
1O01
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BU of 1o01 by Molmil
Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(H) and Mg2+
分子名称: (2E)-BUT-2-ENAL, 1,2-ETHANEDIOL, Aldehyde dehydrogenase, ...
著者Perez-Miller, S.J, Hurley, T.D.
登録日2003-02-20
公開日2003-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Coenzyme isomerization is integral to catalysis in aldehyde dehydrogenase
Biochemistry, 42, 2003
1O04
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BU of 1o04 by Molmil
Cys302Ser mutant of human mitochondrial aldehyde dehydrogenase complexed with NAD+ and Mg2+
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial precursor, ...
著者Perez-Miller, S.J, Hurley, T.D.
登録日2003-02-20
公開日2003-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Coenzyme isomerization is integral to catalysis in aldehyde dehydrogenase
Biochemistry, 42, 2003
2P7H
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BU of 2p7h by Molmil
Crystal structure of a sam dependent methyl-transferase type 12 family protein (eca1738) from pectobacterium atrosepticum scri1043 at 1.85 A resolution
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-03-20
公開日2007-04-03
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of hypothetical protein (YP_049838.1) from Erwinia carotovora atroseptica SCRI1043 at 1.85 A resolution
To be published
3SVW
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BU of 3svw by Molmil
Crystal Structure of the P107V-MauG/pre-Methylamine Dehydrogenase Complex
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
著者Jensen, L.M.R, Wilmot, C.M.
登録日2011-07-12
公開日2012-05-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Proline 107 is a major determinant in maintaining the structure of the distal pocket and reactivity of the high-spin heme of MauG.
Biochemistry, 51, 2012
3SXT
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BU of 3sxt by Molmil
Crystal Structure of the Quinol Form of Methylamine Dehydrogenase in Complex with the Diferrous Form of MauG
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, HEME C, ...
著者Jensen, L.M.R, Wilmot, C.M.
登録日2011-07-15
公開日2012-07-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal Structure of the Quinol Form of Methylamine Dehydrogenase in Complex with the Diferrous Form of MauG
To be Published

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