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1BYN
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BU of 1byn by Molmil
SOLUTION STRUCTURE OF THE CALCIUM-BOUND FIRST C2-DOMAIN OF SYNAPTOTAGMIN I
分子名称: CALCIUM ION, PROTEIN (SYNAPTOTAGMIN I)
著者Shao, X, Fernandez, I, Sudhof, T.C, Rizo, J.
登録日1998-10-18
公開日1998-10-21
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structures of the Ca2+-free and Ca2+-bound C2A domain of synaptotagmin I: does Ca2+ induce a conformational change?
Biochemistry, 37, 1998
6IJB
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BU of 6ijb by Molmil
Structure of 3-methylmercaptopropionate CoA ligase mutant K523A in complex with AMP and MMPA
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(methylsulfanyl)propanoic acid, ADENOSINE MONOPHOSPHATE, ...
著者Shao, X, Cao, H.Y, Wang, P, Li, C.Y, Zhao, F, Peng, M, Chen, X.L, Zhang, Y.Z.
登録日2018-10-09
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.111 Å)
主引用文献Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria.
Mol.Microbiol., 111, 2019
6IJC
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BU of 6ijc by Molmil
Structure of MMPA-CoA dehydrogenase from Roseovarius nubinhibens ISM
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-CoA dehydrogenase family protein
著者Shao, X, Yuan, Z.L, Cao, H.Y, Wang, P, Li, C.Y, Chen, X.L, Zhang, Y.Z.
登録日2018-10-09
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria.
Mol.Microbiol., 111, 2019
6IHK
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BU of 6ihk by Molmil
Structure of MMPA CoA ligase in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, AMP-binding domain protein
著者Shao, X, Cao, H.Y, Wang, P, Li, C.Y, Zhao, F, Peng, M, Chen, X.L, Zhang, Y.Z.
登録日2018-09-30
公開日2019-07-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria.
Mol.Microbiol., 111, 2019
5XA5
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BU of 5xa5 by Molmil
Crystal structure of HMP-1-HMP-2 complex
分子名称: Alpha-catenin-like protein hmp-1, Beta-catenin-like protein hmp-2
著者Shao, X, Kang, H, Weis, W.I, Hardin, J, Choi, H.J.
登録日2017-03-11
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cell-cell adhesion in metazoans relies on evolutionarily conserved features of the alpha-catenin· beta-catenin-binding interface.
J.Biol.Chem., 292, 2017
2KC5
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BU of 2kc5 by Molmil
Solution Structure of HybE from Escherichia coli
分子名称: Hydrogenase-2 operon protein hybE
著者Jin, C, Shao, X, Lu, J, Li, Y.
登録日2008-12-17
公開日2009-10-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the Escherichia coli HybE reveals a novel fold
Proteins, 75, 2009
6CAA
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BU of 6caa by Molmil
CryoEM structure of human SLC4A4 sodium-coupled acid-base transporter NBCe1
分子名称: Electrogenic sodium bicarbonate cotransporter 1
著者Huynh, K.W, Jiang, J, Abuladze, N, Tsirulnikov, K, Kao, L, Shao, X, Newman, D, Azimov, R, Pushkin, A, Zhou, Z.H, Kurtz, I.
登録日2018-01-29
公開日2018-03-07
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献CryoEM structure of the human SLC4A4 sodium-coupled acid-base transporter NBCe1.
Nat Commun, 9, 2018
7B7H
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BU of 7b7h by Molmil
The glucuronoyl esterase OtCE15A R268A variant from Opitutus terrae in complex with, and covalently linked to, D-glucuronate
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCINE, ...
著者Mazurkewich, S, Larsbrink, J, Lo Leggio, L.
登録日2020-12-10
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism and biomass association of glucuronoyl esterase: an alpha / beta hydrolase with potential in biomass conversion.
Nat Commun, 13, 2022
2YYF
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BU of 2yyf by Molmil
Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus
分子名称: M-conotoxin mr12
著者Huang, F, Du, W, Han, Y, Wang, C.
登録日2007-04-29
公開日2008-04-08
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus.
Febs J., 275, 2008
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
6NRH
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BU of 6nrh by Molmil
Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63
分子名称: 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
著者Langelier, M.F, Pascal, J.M.
登録日2019-01-23
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
6NRJ
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BU of 6nrj by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93
分子名称: (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
著者Langelier, M.F, Pascal, J.M.
登録日2019-01-23
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
6NRG
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BU of 6nrg by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57
分子名称: 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
著者Langelier, M.F, Pascal, J.M.
登録日2019-01-23
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
6NRF
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BU of 6nrf by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103
分子名称: 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ...
著者Langelier, M.F, Pascal, J.M.
登録日2019-01-23
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
1JCK
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BU of 1jck by Molmil
T-CELL RECEPTOR BETA CHAIN COMPLEXED WITH SEC3 SUPERANTIGEN
分子名称: 14.3.D T CELL ANTIGEN RECEPTOR, STAPHYLOCOCCAL ENTEROTOXIN C3
著者Fields, B.A, Mariuzza, R.A.
登録日1996-10-22
公開日1997-11-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of a T-cell receptor beta-chain complexed with a superantigen.
Nature, 384, 1996
1AC6
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BU of 1ac6 by Molmil
CRYSTAL STRUCTURE OF A VARIABLE DOMAIN MUTANT OF A T-CELL RECEPTOR ALPHA CHAIN
分子名称: T-CELL RECEPTOR ALPHA
著者Li, H.-M, Mariuzza, R.A.
登録日1997-02-13
公開日1998-02-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dual conformations of a T cell receptor V alpha homodimer: implications for variability in V alpha V beta domain association.
J.Mol.Biol., 269, 1997
1KB5
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BU of 1kb5 by Molmil
MURINE T-CELL RECEPTOR VARIABLE DOMAIN/FAB COMPLEX
分子名称: ANTIBODY DESIRE-1, KB5-C20 T-CELL ANTIGEN RECEPTOR
著者Housset, D, Mazza, G, Gregoire, C, Piras, C, Malissen, B, Fontecilla-Camps, J.C.
登録日1997-04-06
公開日1998-04-08
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The three-dimensional structure of a T-cell antigen receptor V alpha V beta heterodimer reveals a novel arrangement of the V beta domain.
EMBO J., 16, 1997
4X9Z
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BU of 4x9z by Molmil
Dimeric conotoxin alphaD-GeXXA
分子名称: alphaD-conotoxin GeXXA from the venom of Conus generalis
著者Xu, S, Zhang, T, Kompella, S, Adams, D, Ding, J, Wang, C.
登録日2014-12-12
公開日2015-12-02
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conotoxin alpha D-GeXXA utilizes a novel strategy to antagonize nicotinic acetylcholine receptors
Sci Rep, 5, 2015
4XZ6
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BU of 4xz6 by Molmil
TmoX in complex with TMAO
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
著者Zhang, Y.Z, Li, C.Y.
登録日2015-02-04
公開日2015-08-19
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanistic Insight into Trimethylamine N-Oxide Recognition by the Marine Bacterium Ruegeria pomeroyi DSS-3
J.Bacteriol., 197, 2015
2LMZ
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BU of 2lmz by Molmil
Solution NMR structure of the novel conotoxin im23a from Conus imperialis
分子名称: Conotoxin im17a
著者Khoo, K.K, Galea, C.A, Boonyalai, N, Norton, R.S.
登録日2011-12-15
公開日2012-03-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A helical conotoxin from Conus imperialis has a novel cysteine framework and defines a new superfamily.
J.Biol.Chem., 287, 2012
2JQC
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BU of 2jqc by Molmil
A L-amino acid mutant of a D-amino acid containing conopeptide
分子名称: L-mr12
著者Huang, F, Du, W, Han, Y, Wang, C, Chi, C.
登録日2007-05-31
公開日2008-04-15
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Purification and structural characterization of a d-amino acid-containing conopeptide, conomarphin, from Conus marmoreus
Febs J., 275, 2008
6AK1
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BU of 6ak1 by Molmil
Crystal structure of DmoA from Hyphomicrobium sulfonivorans
分子名称: Dimethyl-sulfide monooxygenase
著者Cao, H.Y, Wang, P, Peng, M, Li, C.Y.
登録日2018-08-28
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献Crystal structure of the dimethylsulfide monooxygenase DmoA from Hyphomicrobium sulfonivorans.
Acta Crystallogr.,Sect.F, 74, 2018
5H5M
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BU of 5h5m by Molmil
Crystal structure of HMP-1 M domain
分子名称: Alpha-catenin-like protein hmp-1
著者Kang, H, Bang, I, Weis, W.I, Choi, H.J.
登録日2016-11-08
公開日2017-03-29
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional characterization of Caenorhabditis elegans alpha-catenin reveals constitutive binding to beta-catenin and F-actin
J. Biol. Chem., 292, 2017
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
分子名称: BA7054 fab, BA7125 fab, Spike glycoprotein
著者Liu, Z, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab
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, BA7054 fab, ...
著者Liu, Z, Lui, S, Gao, Y.
登録日2022-03-27
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023

 

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