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7ZEU
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BU of 7zeu by Molmil
Crystal structure of human Clusterin, crystal form II
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clusterin
著者Yuste-Checa, P, Bracher, A, Hartl, F.U.
登録日2022-03-31
公開日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of human Clusterin, crystal form II
To be published
7BFN
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BU of 7bfn by Molmil
Apo form of Thermogutta terrifontis esterase 2
分子名称: Esterase, SULFATE ION
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFU
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BU of 7bfu by Molmil
Thermogutta terrifontis esterase 2 phosphonylated by sarin
分子名称: ETHANOL, Esterase
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFT
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BU of 7bft by Molmil
Thermogutta terrifontis esterase 2 phosphoramylated by tabun
分子名称: Esterase, PHOSPHATE ION
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFO
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BU of 7bfo by Molmil
Thermogutta terrifontis esterase 2 phosphonylated by VX
分子名称: ETHANOL, Esterase
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFR
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BU of 7bfr by Molmil
Thermogutta terrifontis esterase 2 phosphorylated by paraoxon
分子名称: CARBONATE ION, Esterase
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFV
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BU of 7bfv by Molmil
Thermogutta terrifontis esterase 2 phosphonylated by cyclosarin
分子名称: Esterase, PHOSPHATE ION, SODIUM ION
著者Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
登録日2021-01-04
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
6IJX
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BU of 6ijx by Molmil
Crystal Structure of AKR1C1 complexed with meclofenamic acid
分子名称: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X.
登録日2018-10-12
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
5GMI
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BU of 5gmi by Molmil
Crystal Structure of GRASP55 GRASP domain in complex with JAM-C C-terminus
分子名称: Golgi reassembly-stacking protein 2, Junctional adhesion molecule C
著者Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
登録日2016-07-14
公開日2017-05-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
2CQ7
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BU of 2cq7 by Molmil
Solution structure of RSGI RUH-032, a cystein-rich domain of CRISP-2 from human cDNA
分子名称: Cysteine-rich secretory protein-2
著者Abe, T, Hirota, H, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-19
公開日2005-11-19
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution structure of RSGI RUH-032, a cystein-rich domain of CRISP-2 from human cDNA
To be Published
2D9P
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BU of 2d9p by Molmil
Solution structure of RNA binding domain 4 in Polyadenylation binding protein 3
分子名称: Polyadenylate-binding protein 3
著者Tsuda, K, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-12
公開日2006-06-12
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of RNA binding domain 4 in Polyadenylation binding protein 3
To be Published
5W58
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BU of 5w58 by Molmil
Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor)
分子名称: (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J.
登録日2017-06-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.267 Å)
主引用文献Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
3VU7
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BU of 3vu7 by Molmil
Crystal structure of REV1-REV7-REV3 ternary complex
分子名称: DNA polymerase zeta catalytic subunit, DNA repair protein REV1, Mitotic spindle assembly checkpoint protein MAD2B
著者Kikuchi, S, Hara, K, Shimizu, T, Sato, M, Hashimoto, H.
登録日2012-06-20
公開日2012-08-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of recruitment of DNA polymerase [zeta] by interaction between REV1 and REV7 proteins
J.Biol.Chem., 287, 2012
3VQH
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BU of 3vqh by Molmil
Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Pflug, A, Johnson, K.A, Engh, R.A.
登録日2012-03-23
公開日2012-08-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89
Acta Crystallogr.,Sect.F, 68, 2012
7SL9
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BU of 7sl9 by Molmil
CryoEM structure of SMCT1
分子名称: Sodium-coupled monocarboxylate transporter 1, butanoic acid, nanobody Nb2
著者Qu, Q, Han, L, Panova, O, Feng, L, Skiniotis, G.
登録日2021-10-23
公開日2021-12-15
最終更新日2022-01-26
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and mechanism of the SGLT family of glucose transporters.
Nature, 601, 2022
3VAC
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BU of 3vac by Molmil
Crystal Structure of the CFA/I Enterotoxigenic E. coli adhesin CfaE mutant G168D
分子名称: CFA/I fimbrial subunit E
著者Liu, Y, Esser, L, Xia, D.
登録日2011-12-29
公開日2013-02-20
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Tight Conformational Coupling between the Domains of the Enterotoxigenic Escherichia coli Fimbrial Adhesin CfaE Regulates Binding State Transition.
J.Biol.Chem., 288, 2013
5WBG
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BU of 5wbg by Molmil
Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz
分子名称: (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ...
著者Shah, M.B, Halpert, J.R.
登録日2017-06-29
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog.
Int J Mol Sci, 19, 2018
7NAM
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BU of 7nam by Molmil
LRP6_E1 in complex with Lr-EET-3.5
分子名称: Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ...
著者Hansen, S, Hannoush, R.N.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
8JB7
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BU of 8jb7 by Molmil
Crystal structure of CMY-185
分子名称: Beta-lactamase, SULFATE ION
著者Kawai, A, Doi, Y.
登録日2023-05-08
公開日2023-12-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
8JB8
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BU of 8jb8 by Molmil
Crystal structure of CMY-185 complex with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Kawai, A, Doi, Y.
登録日2023-05-08
公開日2023-12-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
6CGC
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BU of 6cgc by Molmil
Crystal structure of human 17beta-HSD type 1 in ternary complex with 2-MeO-CC-156 and NADP+
分子名称: 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, T, Lin, S.X.
登録日2018-02-19
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Combined Biophysical Chemistry Reveals a New Covalent Inhibitor with a Low-Reactivity Alkyl Halide.
J Phys Chem Lett, 9, 2018
4F4X
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BU of 4f4x by Molmil
Y-family DNA polymerase chimera Dbh-Dpo4-Dpo4 #2
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*CP*AP*CP*TP*GP*AP*TP*CP*GP*GP*GP*C)-3'), ...
著者Pata, J.D, Wilson, R.C.
登録日2012-05-11
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Structure, 21, 2013
4F4W
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BU of 4f4w by Molmil
Y-family DNA polymerase chimera Dbh-Dpo4-Dpo4 #1
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*CP*AP*CP*TP*GP*AP*TP*CP*GP*GP*C)-3'), ...
著者Pata, J.D, Wilson, R.C.
登録日2012-05-11
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Structure, 21, 2013
4F4Y
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BU of 4f4y by Molmil
Y-family DNA polymerase chimera Dbh-Dpo4-Dbh
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*CP*AP*CP*TP*GP*AP*TP*CP*GP*GP*GP*CP*CP*C)-3'), ...
著者Pata, J.D, Wilson, R.C.
登録日2012-05-11
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.338 Å)
主引用文献Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Structure, 21, 2013
4F4Z
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BU of 4f4z by Molmil
Y-family DNA polymerase chimera Dpo4-Dpo4-Dbh
分子名称: CALCIUM ION, DNA (5'-D(*AP*GP*GP*GP*GP*GP*AP*AP*GP*CP*CP*G)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*CP*CP*CP*GP*GP*CP*TP*TP*CP*CP*CP*CP*CP*T)-3'), ...
著者Pata, J.D, Wilson, R.C.
登録日2012-05-11
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.305 Å)
主引用文献Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Structure, 21, 2013

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