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7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
2HDH
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BU of 2hdh by Molmil
BIOCHEMICAL CHARACTERIZATION AND STRUCTURE DETERMINATION OF HUMAN HEART SHORT CHAIN L-3-HYDROXYACYL COA DEHYDROGENASE PROVIDE INSIGHT INTO CATALYTIC MECHANISM
分子名称: L-3-HYDROXYACYL COA DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Barycki, J.J, Bratt, J.M, Banaszak, L.J.
登録日1998-12-04
公開日1999-05-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical characterization and crystal structure determination of human heart short chain L-3-hydroxyacyl-CoA dehydrogenase provide insights into catalytic mechanism.
Biochemistry, 38, 1999
6N9O
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BU of 6n9o by Molmil
Crystal structure of human GSDMD
分子名称: Gasdermin-D
著者Liu, Z, Wang, C, Yang, J, Xiao, T.S.
登録日2018-12-03
公開日2019-06-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal Structures of the Full-Length Murine and Human Gasdermin D Reveal Mechanisms of Autoinhibition, Lipid Binding, and Oligomerization.
Immunity, 51, 2019
6N9N
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BU of 6n9n by Molmil
Crystal structure of murine GSDMD
分子名称: Gasdermin-D
著者Liu, Z, Wang, C, Yang, J, Xiao, T.S.
登録日2018-12-03
公開日2019-06-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal Structures of the Full-Length Murine and Human Gasdermin D Reveal Mechanisms of Autoinhibition, Lipid Binding, and Oligomerization.
Immunity, 51, 2019
4DGP
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BU of 4dgp by Molmil
The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2)
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
登録日2012-01-26
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
1F0Y
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BU of 1f0y by Molmil
L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH ACETOACETYL-COA AND NAD+
分子名称: ACETOACETYL-COENZYME A, L-3-HYDROXYACYL-COA DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Barycki, J.J, O'Brien, L.K, Strauss, A.W, Banaszak, L.J.
登録日2000-05-17
公開日2000-09-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sequestration of the active site by interdomain shifting. Crystallographic and spectroscopic evidence for distinct conformations of L-3-hydroxyacyl-CoA dehydrogenase.
J.Biol.Chem., 275, 2000
3KC3
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BU of 3kc3 by Molmil
MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
分子名称: MAP kinase-activated protein kinase 2, N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2009-10-20
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
1F17
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BU of 1f17 by Molmil
L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-3-HYDROXYACYL-COA DEHYDROGENASE
著者Barycki, J.J, O'Brien, L.K, Strauss, A.W, Banaszak, L.J.
登録日2000-05-18
公開日2000-09-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sequestration of the active site by interdomain shifting. Crystallographic and spectroscopic evidence for distinct conformations of L-3-hydroxyacyl-CoA dehydrogenase.
J.Biol.Chem., 275, 2000
3F6Q
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BU of 3f6q by Molmil
Crystal structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain
分子名称: IODIDE ION, Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 1, ...
著者Chiswell, B.P, Calderwood, D.A, Boggon, T.J.
登録日2008-11-06
公開日2008-12-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structural basis of integrin-linked kinase-PINCH interactions.
Proc.Natl.Acad.Sci.USA, 105, 2008
1F12
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BU of 1f12 by Molmil
L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH 3-HYDROXYBUTYRYL-COA
分子名称: 3-HYDROXYBUTANOYL-COENZYME A, L-3-HYDROXYACYL-COA DEHYDROGENASE
著者Barycki, J.J, O'Brien, L.K, Strauss, A.W, Banaszak, L.J.
登録日2000-05-18
公開日2000-09-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sequestration of the active site by interdomain shifting. Crystallographic and spectroscopic evidence for distinct conformations of L-3-hydroxyacyl-CoA dehydrogenase.
J.Biol.Chem., 275, 2000
4EXO
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BU of 4exo by Molmil
Revised, rerefined crystal structure of PDB entry 2QHK, methyl accepting chemotaxis protein
分子名称: Methyl-accepting chemotaxis protein, PYRUVIC ACID
著者Sweeney, E.G, Henderson, J.N, Goers, J, Wreden, C, Hicks, K.G, Foster, J.K, Parthasarathy, R, Remington, S.J, Guillemin, K.
登録日2012-04-30
公開日2012-05-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Proposed Mechanism for the pH-Sensing Helicobacter pylori Chemoreceptor TlpB.
Structure, 20, 2012
5DPX
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BU of 5dpx by Molmil
1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases.
分子名称: 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ...
著者Nauton, L, Garau, G, Khan, R, Dideberg, O.
登録日2015-09-14
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases.
ChemMedChem, 12, 2017
2DH1
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BU of 2dh1 by Molmil
Crystal structure of peanut lectin lactose-azobenzene-4,4'-dicarboxylic acid-lactose complex
分子名称: Galactose-binding lectin
著者Natchiar, S.K, Srinivas, O, Nivedita, M, Sagarika, D, Jayaraman, N, Surolia, A, Vijayan, M.
登録日2006-03-17
公開日2006-08-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (7.65 Å)
主引用文献Multivalency in lectins - A crystallographic, modelling and light-scattering study involving peanut lectin and a bivalent ligand
Curr.Sci., 90, 2006
6CN8
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BU of 6cn8 by Molmil
High-resolution structure of ClpC1-NTD binding to Rufomycin-I
分子名称: ATP-dependent Clp protease ATP-binding subunit ClpC1, CHLORIDE ION, PHOSPHATE ION, ...
著者Abad-Zapatero, C, Wolf, N.W.
登録日2018-03-07
公開日2019-06-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads.
Acs Infect Dis., 5, 2019
2DVB
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BU of 2dvb by Molmil
Crystal structure of peanut lectin GAl-beta-1,6-GalNAc complex
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M.
登録日2006-07-30
公開日2006-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2DVF
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BU of 2dvf by Molmil
Crystals of peanut lectin grown in the presence of GAL-ALPHA-1,3-GAL-BETA-1,4-GAL
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M.
登録日2006-07-31
公開日2006-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
5HNF
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BU of 5hnf by Molmil
Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BpuJ1 endonuclease binding domain
分子名称: DNA (5'-D(*GP*(YPE)P*AP*CP*CP*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*AP*CP*GP*GP*GP*TP*(YPF)P*C)-3'), Restriction endonuclease R.BpuJI
著者Probst, M, Aeschimann, W, Chau, T.-T.-H, Langenegger, S.M, Stocker, A, Haener, R.
登録日2016-01-18
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.546 Å)
主引用文献Structural insight into DNA-assembled oligochromophores: crystallographic analysis of pyrene- and phenanthrene-modified DNA in complex with BpuJI endonuclease.
Nucleic Acids Res., 44, 2016
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
著者Wang, X, Wang, Z.
登録日2022-02-25
公開日2023-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7XD2
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BU of 7xd2 by Molmil
SARS-CoV-2 S ectodomain trimer in complex with neutralizing antibody 10-5B
分子名称: H chain of antibody 10-5B, L chian of antibody 10-5B, Spike glycoprotein
著者Wang, X, Wang, Z.
登録日2022-03-26
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
6A68
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BU of 6a68 by Molmil
the crystal structure of rat calcium-dependent activator protein for secretion (CAPS) DAMH domain
分子名称: Calcium-dependent secretion activator 1, POTASSIUM ION
著者Zhou, H, Wei, Z.Q, Yao, D.Q, Zhang, R.G, Ma, C.
登録日2018-06-26
公開日2019-03-13
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Structural and Functional Analysis of the CAPS SNARE-Binding Domain Required for SNARE Complex Formation and Exocytosis.
Cell Rep, 26, 2019
2X2I
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BU of 2x2i by Molmil
Crystal structure of the Gracilariopsis lemaneiformis alpha-1,4- glucan lyase with acarbose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, GLYCEROL
著者Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
登録日2010-01-13
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
7MFJ
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BU of 7mfj by Molmil
Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae
分子名称: ACETATE ION, Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE
著者Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
登録日2021-04-09
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae.
Insect Biochem.Mol.Biol., 142, 2022
1H2H
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BU of 1h2h by Molmil
Crystal structure of TM1643
分子名称: HYPOTHETICAL PROTEIN TM1643, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Yang, Z, Savchenko, A, Edwards, A, Arrowsmith, C, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2002-08-08
公開日2002-08-15
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Aspartate dehydrogenase, a novel enzyme identified from structural and functional studies of TM1643.
J. Biol. Chem., 278, 2003
6LB8
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BU of 6lb8 by Molmil
Crystal structure of the Ca2+-free T4L-MICU1-MICU2 complex
分子名称: Calcium uptake protein 2, mitochondrial, Endolysin,Calcium uptake protein 1
著者Wu, W, Shen, Q, Zheng, J, Jia, Z.
登録日2019-11-13
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.283 Å)
主引用文献The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter.
Embo J., 39, 2020
3HY4
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BU of 3hy4 by Molmil
Structure of human MTHFS with N5-iminium phosphate
分子名称: 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid, ...
著者Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J.
登録日2009-06-22
公開日2009-07-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.795 Å)
主引用文献Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009

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