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8XRX
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BU of 8xrx by Molmil
The crystal structure of a GH3 enzyme CcBgl3B with glucose and gentiobiose
分子名称: CALCIUM ION, GH3 enzyme CcBgl3B, alpha-D-glucopyranose, ...
著者Su, J.Y.
登録日2024-01-08
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study.
Int.J.Biol.Macromol., 265, 2024
5J87
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BU of 5j87 by Molmil
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
分子名称: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
著者Yun, C.H, Zhang, S.
登録日2016-04-07
公開日2017-04-19
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
7T1F
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BU of 7t1f by Molmil
Crystal structure of GDP-bound T50I mutant of human KRAS4B
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
著者Zhang, Y, Zhang, C.
登録日2021-12-01
公開日2022-12-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation.
JCI Insight, 8, 2023
1I5U
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BU of 1i5u by Molmil
SOLUTION STRUCTURE OF CYTOCHROME B5 TRIPLE MUTANT (E48A/E56A/D60A)
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Qian, C, Yao, Y, Tang, W, Wang, J, Zhongxian, H.
登録日2001-02-28
公開日2001-03-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Effects of charged amino-acid mutation on the solution structure of cytochrome b(5) and binding between cytochrome b(5) and cytochrome c.
Protein Sci., 10, 2001
8JE2
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BU of 8je2 by Molmil
Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN
分子名称: Cullin-2, Elongin-B, Elongin-C, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-05-15
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
8JE1
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BU of 8je1 by Molmil
An asymmetry dimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complexed with BEX2
分子名称: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-05-15
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
4DBH
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BU of 4dbh by Molmil
Crystal structure of Cg1458 with inhibitor
分子名称: 2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION, OXALATE ION
著者Ran, T.T, Wang, W.W, Xu, D.Q, Gao, Y.Y.
登録日2012-01-15
公開日2012-11-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family.
Biochem.J., 449, 2013
8JW0
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BU of 8jw0 by Molmil
PSI-AcpPCI supercomplex from Amphidinium carterae
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Li, Z.H, Li, X.Y, Wang, W.D.
登録日2023-06-28
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
7N28
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BU of 7n28 by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J033 in complex with HIV-1 Env
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, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-28
公開日2022-04-06
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
4Z0C
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BU of 4z0c by Molmil
Crystal structure of TLR13-ssRNA13 complex
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, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ...
著者Song, W, Han, Z, Chai, J.
登録日2015-03-26
公開日2015-10-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13
Nat.Struct.Mol.Biol., 22, 2015
7MXD
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BU of 7mxd by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J038 in complex with HIV-1 Env
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, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-19
公開日2022-03-30
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
7JI2
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BU of 7ji2 by Molmil
Crystal Structure of H2-Kb in complex with a OVA mutant peptide
分子名称: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
著者Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J.
登録日2020-07-22
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection.
Science, 371, 2021
4C13
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BU of 4c13 by Molmil
x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys
分子名称: CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ...
著者Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J.
登録日2013-08-09
公開日2013-10-02
最終更新日2021-03-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy.
Nat.Chem.Biol., 2021
3B9O
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BU of 3b9o by Molmil
long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN
分子名称: Alkane monooxygenase, FLAVIN MONONUCLEOTIDE
著者Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z.
登録日2007-11-06
公開日2008-01-15
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 long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase
J.Mol.Biol., 376, 2008
3B9N
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BU of 3b9n by Molmil
Crystal structure of long-chain alkane monooxygenase (LadA)
分子名称: Alkane monooxygenase
著者Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z.
登録日2007-11-06
公開日2008-01-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase
J.Mol.Biol., 376, 2008
8FWF
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BU of 8fwf by Molmil
Crystal structure of Apo form Fab235
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Tan, K, Kim, M, Reinherz, E.L.
登録日2023-01-21
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8FYM
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BU of 8fym by Molmil
Crystal structure of Fab235 in complex with MPER peptide
分子名称: ALA-SER-LEU-TRP-ASN-TRP-PHE-ASN-ILE-THR-ASN-TRP-LEU-TRP-TYR-ILE-LYS-LYS-LYS, CHLORIDE ION, Fab235, ...
著者Tan, K, Kim, M, Reinherz, E.L.
登録日2023-01-26
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8FXJ
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BU of 8fxj by Molmil
Crystal structure of Fab460
分子名称: ACETATE ION, CHLORIDE ION, Fab460, ...
著者Tan, K, Kim, M, Reinherz, E.L.
登録日2023-01-24
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8FZ2
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BU of 8fz2 by Molmil
Crystal structure of Fab460 in complex with MPER peptide
分子名称: Fab460, H chain, L chain, ...
著者Tan, K, Kim, M, Reinherz, E.L.
登録日2023-01-27
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8DHH
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BU of 8dhh by Molmil
DHODH IN COMPLEX WITH LIGAND 29
分子名称: (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Shaffer, P.L.
登録日2022-06-27
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
8DHG
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BU of 8dhg by Molmil
DHODH IN COMPLEX WITH LIGAND 19
分子名称: (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Shaffer, P.L.
登録日2022-06-27
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
8DHF
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DHODH IN COMPLEX WITH LIGAND 11
分子名称: (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Shaffer, P.L.
登録日2022-06-27
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
3O71
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BU of 3o71 by Molmil
Crystal structure of ERK2/DCC peptide complex
分子名称: Mitogen-activated protein kinase 1, Peptide of Deleted in Colorectal Cancer, THIOCYANATE ION
著者Ma, W.F, Shang, Y, Wei, Z.Y, Wen, W.Y, Wang, W.N, Zhang, M.J.
登録日2010-07-30
公開日2011-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Phosphorylation of DCC by ERK2 is facilitated by direct docking of the receptor P1 domain to the kinase
Structure, 18, 2010
5GQT
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BU of 5gqt by Molmil
Crystal structure of a specifier Protein from Arabidopsis thaliana
分子名称: Nitrile-specifier protein 1
著者Zhang, W, Feng, Y.
登録日2016-08-08
公開日2017-06-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.022 Å)
主引用文献Crystal structure of the nitrile-specifier protein NSP1 from Arabidopsis thaliana
Biochem. Biophys. Res. Commun., 488, 2017
8JZF
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PSI-AcpPCI supercomplex from Symbiodinium
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Li, X.Y, Li, Z.H, Wang, W.D.
登録日2023-07-05
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024

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