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6NL7
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BU of 6nl7 by Molmil
Crystal structure of B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q)
分子名称: ACETATE ION, CHLORIDE ION, DIPHOSPHATE, ...
著者Maniaci, B, Stec, B, Huxford, T.
登録日2019-01-08
公開日2019-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
5V58
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BU of 5v58 by Molmil
Crystal structure of human prolyl-tRNA synthetase in complex with Aze-SA
分子名称: 5'-O-{[(2S)-azetidine-2-carbonyl]sulfamoyl}adenosine, Bifunctional glutamate/proline--tRNA ligase, ZINC ION
著者Zhou, H, Song, Y, Schimmel, P.
登録日2017-03-13
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Double mimicry evades tRNA synthetase editing by toxic vegetable-sourced non-proteinogenic amino acid.
Nat Commun, 8, 2017
4Q3N
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BU of 4q3n by Molmil
Crystal structure of MGS-M5, a lactate dehydrogenase enzyme from a Medee basin deep-sea metagenome library
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CHLORIDE ION, ...
著者Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A.
登録日2014-04-11
公開日2015-02-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
5V64
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BU of 5v64 by Molmil
Crystal structure of macrocycles containing Abeta 15-21 (QKLV(PHI)FA) and Abeta 30-36 (AII(SAR)L(ORN)V)
分子名称: CITRATE ANION, ORN-GLN-LYS-LEU-VAL-PHI-PHE-ALA-ORN-ALA-ILE-ILE-SAR-LEU-MET-VAL, SODIUM ION
著者Salveson, P.J, Spencer, R.K, Nowick, J.S.
登録日2017-03-15
公開日2017-06-28
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.023 Å)
主引用文献X-ray Crystallographic Structure of a Compact Dodecamer from a Peptide Derived from A beta 16-36.
Org. Lett., 19, 2017
5V6K
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BU of 5v6k by Molmil
Crystal Structure of the Second beta-Prism Domain of RbmC from V. cholerae Bound to N-acetylglucosaminyl-beta-1,2-mannose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, GLYCEROL, Hemolysin-related protein
著者De, S, Kaus, K, Sinclair, S, Case, B.C, Olson, R.
登録日2017-03-16
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of mammalian glycan targeting by Vibrio cholerae cytolysin and biofilm proteins.
PLoS Pathog., 14, 2018
5UIO
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BU of 5uio by Molmil
structure of DHFR with bound DAP, p-ABG and NADP
分子名称: BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FORMIC ACID, ...
著者Pedersen, L.C, London, R.E.
登録日2017-01-14
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
1CQJ
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BU of 1cqj by Molmil
CRYSTAL STRUCTURE OF DEPHOSPHORYLATED E. COLI SUCCINYL-COA SYNTHETASE
分子名称: COENZYME A, PHOSPHATE ION, SUCCINYL-COA SYNTHETASE ALPHA CHAIN, ...
著者Joyce, M.A, Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T.
登録日1999-08-06
公開日2000-01-10
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献ADP-binding site of Escherichia coli succinyl-CoA synthetase revealed by x-ray crystallography.
Biochemistry, 39, 2000
5UK9
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BU of 5uk9 by Molmil
Wild-type K-Ras(GCP) pH 6.5
分子名称: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Parker, J.A, Mattos, C.
登録日2017-01-20
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献K-Ras Populates Conformational States Differently from Its Isoform H-Ras and Oncogenic Mutant K-RasG12D.
Structure, 26, 2018
1CXY
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BU of 1cxy by Molmil
STRUCTURE AND CHARACTERIZATION OF ECTOTHIORHODOSPIRA VACUOLATA CYTOCHROME B558, A PROKARYOTIC HOMOLOGUE OF CYTOCHROME B5
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Kostanjevecki, V, Leys, D, Van Driessche, G, Meyer, T.E, Cusanovich, M.A, Fischer, U, Guisez, Y, Van Beeumen, J.
登録日1999-08-31
公開日1999-09-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and characterization of Ectothiorhodospira vacuolata cytochrome b(558), a prokaryotic homologue of cytochrome b(5).
J.Biol.Chem., 274, 1999
6ND8
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BU of 6nd8 by Molmil
RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND BARIUM
分子名称: AMMONIUM ION, BARIUM ION, CHLORIDE ION, ...
著者Stetefeld, J, McDougall, M.D, Loewen, P.C.
登録日2018-12-13
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND BARIUM
To be published
5UM7
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BU of 5um7 by Molmil
Crystal structure of the reduced state of the thiol-disulfide reductase SdbA from Streptococcus gordonii
分子名称: ACETATE ION, Thioredoxin signature protein
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-01-26
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of the reduced state of the thiol-disulfide reductase SdbA from Streptococcus gordonii
To Be Published
5UMJ
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BU of 5umj by Molmil
Crystal structure of H62A mutant of human macrophage migration inhibitory factor
分子名称: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
著者Pantouris, G, Lolis, E.
登録日2017-01-27
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
4QE4
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BU of 4qe4 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribulose
分子名称: NICKEL (II) ION, Xylose isomerase, beta-L-ribulofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-15
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
5V1P
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BU of 5v1p by Molmil
DNA polymerase beta substrate complex with 8-oxoG:C at the primer terminus and incoming dCTP analog
分子名称: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Freudenthal, B.D, Smith, M.R, Whitaker, A.M, Schaich, M.A.
登録日2017-03-02
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Capturing a mammalian DNA polymerase extending from an oxidized nucleotide.
Nucleic Acids Res., 45, 2017
1CFQ
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BU of 1cfq by Molmil
ANTI-P24 (HIV-1) FAB FRAGMENT CB41
分子名称: PROTEIN (IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN)), PROTEIN (IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN))
著者Keitel, T, Kramer, A, Wessner, H, Scholz, C, Schneider-Mergener, J, Hoehne, W.
登録日1999-03-19
公開日1999-03-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic analysis of anti-p24 (HIV-1) monoclonal antibody cross-reactivity and polyspecificity.
Cell(Cambridge,Mass.), 91, 1997
3AQ1
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BU of 3aq1 by Molmil
Open state monomer of a group II chaperonin from methanococcoides burtonii
分子名称: Thermosome subunit
著者Harrop, S.J, Pilak, O, Siddiqui, K.S, De Francisci, D, Burg, D, Williams, T.J, Cavicchioli, R, Curmi, P.M.
登録日2010-10-24
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.746 Å)
主引用文献Chaperonins from an Antarctic archaeon are predominantly monomeric: crystal structure of an open state monomer.
ENVIRON.MICROBIOL., 13, 2011
6NBX
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BU of 6nbx by Molmil
T.elongatus NDH (data-set 2)
分子名称: IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 1, ...
著者Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M.
登録日2018-12-10
公開日2019-02-27
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the complex I-like molecule NDH of oxygenic photosynthesis.
Nature, 566, 2019
5V63
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Crystal structure of macrocycles containing Abeta 16-22 (KLV(PHI)FAE) and Abeta 30-36 (AII(SAR)L(ORN)V)
分子名称: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-ALA-ILE-ILE-SAR-LEU-MET-VAL
著者Spencer, R.K, Salveson, P.J, Nowick, J.S.
登録日2017-03-15
公開日2017-06-28
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献X-ray Crystallographic Structure of a Compact Dodecamer from a Peptide Derived from A beta 16-36.
Org. Lett., 19, 2017
5V69
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BU of 5v69 by Molmil
Crystal structure of the Middle East respiratory syndrome coronavirus papain-like protease bound to ubiquitin variant ME.4
分子名称: CHLORIDE ION, ME.4, MERS-CoV PLpro, ...
著者Bailey-Elkin, B.A, Mark, B.L.
登録日2017-03-16
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants.
PLoS Pathog., 13, 2017
6NEC
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BU of 6nec by Molmil
STRUCTURE OF RET PROTEIN TYROSINE KINASE DOMAIN IN COMPLEX WITH NINTEDANIB
分子名称: FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
著者Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M.
登録日2018-12-17
公開日2019-06-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib.
J.Biol.Chem., 294, 2019
9EP8
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BU of 9ep8 by Molmil
Crystal structure of ROCK2 in complex with a 8-(azaindolyl)-benzoazepinone inhibitor
分子名称: 1,2-ETHANEDIOL, 8-(azaindolyl)-benzoazepinone, Rho-associated protein kinase 2
著者Pala, D, Clark, D, Pioselli, B, Accetta, A, Rancati, F.
登録日2024-03-18
公開日2024-09-25
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Design and synthesis of novel 8-(azaindolyl)-benzoazepinones as potent and selective ROCK inhibitors
Rsc Med Chem, 2024
4QMN
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BU of 4qmn by Molmil
MST3 in complex with BOSUTINIB
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Serine/threonine-protein kinase 24
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
7LPG
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BU of 7lpg by Molmil
APE1 product complex with abasic ribonucleotide DNA
分子名称: DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-R(P*N)-D(P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
著者Freudenthal, B.D, Hoitsma, N.M.
登録日2021-02-11
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Altered APE1 activity on abasic ribonucleotides is mediated by changes in the nucleoside sugar pucker.
Comput Struct Biotechnol J, 19, 2021
5V1H
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BU of 5v1h by Molmil
DNA polymerase beta binary complex with 8-oxoG:A at the primer terminus
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Freudenthal, B.D, Schaich, M.A, Whitaker, A.M, Smith, M.R.
登録日2017-03-02
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.946 Å)
主引用文献Capturing a mammalian DNA polymerase extending from an oxidized nucleotide.
Nucleic Acids Res., 45, 2017
5V1O
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DNA polymerase beta product complex with 8-oxoG:A and inserted dCTP
分子名称: CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG)P*C)-3'), ...
著者Freudenthal, B.D, Schaich, M.A, Whitaker, A.M, Smith, M.R.
登録日2017-03-02
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Capturing a mammalian DNA polymerase extending from an oxidized nucleotide.
Nucleic Acids Res., 45, 2017

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