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7ADR
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BU of 7adr by Molmil
CO bound as bridging ligand at the active site of vanadium nitrogenase VFe protein
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
著者Rohde, M, Grunau, K, Einsle, O.
登録日2020-09-16
公開日2020-09-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
5XE0
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BU of 5xe0 by Molmil
Crystal structure of EV-D68-3Dpol in complex with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Genome polyprotein
著者Xie, W, Wang, C, Wang, Z, Li, Q, Wang, C.
登録日2017-03-30
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure and Thermostability Characterization of Enterovirus D68 3Dpol
J. Virol., 91, 2017
4LVC
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BU of 4lvc by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenosine
分子名称: ACETATE ION, ADENOSINE, AMMONIUM ION, ...
著者Manszewski, T, Singh, K, Imiolczyk, B, Jaskolski, M.
登録日2013-07-26
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii.
Acta Crystallogr.,Sect.D, 71, 2015
6AJI
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BU of 6aji by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJF
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BU of 6ajf by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Drug exporters of the RND superfamily-like protein,Endolysin, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6ZMS
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BU of 6zms by Molmil
Coxsackievirus B4 strain E2
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Flatt, J.W, Domanska, A, Butcher, S.J.
登録日2020-07-03
公開日2021-03-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Identification of a conserved virion-stabilizing network inside the interprotomer pocket of enteroviruses.
Commun Biol, 4, 2021
6AJG
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BU of 6ajg by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6UVS
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BU of 6uvs by Molmil
Human Connexin-26 (Low pH open conformation)
分子名称: Gap junction beta-2 protein
著者Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M.
登録日2019-11-04
公開日2020-04-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献A Steric "Ball-and-Chain" Mechanism for pH-Mediated Regulation of Gap Junction Channels.
Cell Rep, 31, 2020
6AJJ
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BU of 6ajj by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
4LXI
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BU of 4lxi by Molmil
Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from Sphingomonas wittichii RW1, in complex with 5,8-diF HOPDA
分子名称: (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid, MCP Hydrolase, SODIUM ION
著者Bhowmik, S, Bolin, J.T.
登録日2013-07-29
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A substrate-assisted mechanism of nucleophile activation in a ser-his-asp containing C-C bond hydrolase.
Biochemistry, 52, 2013
6UUZ
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BU of 6uuz by Molmil
Structure of ACLY in the presence of citrate and CoA
分子名称: ATP-citrate synthase, COENZYME A
著者Xuepeng, W, Ronen, M.
登録日2019-11-01
公開日2020-01-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular basis for acetyl-CoA production by ATP-citrate lyase.
Nat.Struct.Mol.Biol., 27, 2020
6V67
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BU of 6v67 by Molmil
Apo Structure of the De Novo PD-1 Binding Miniprotein GR918.2
分子名称: PD-1 Binding Miniprotein GR918.2
著者Bick, M.J, Bryan, C.M, Baker, D, Dimaio, F, Kang, A.
登録日2019-12-04
公開日2020-12-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Computational design of a synthetic PD-1 agonist.
Proc.Natl.Acad.Sci.USA, 118, 2021
5XVU
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BU of 5xvu by Molmil
Crystal structure of the protein kinase CK2 catalytic domain from Plasmodium falciparum bound to ATP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者El Sahili, A, Lescar, J, Ruiz-Carrillo, D, Lin, J.Q.
登録日2017-06-28
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition.
Sci Rep, 8, 2018
4MLE
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BU of 4mle by Molmil
Human Glucokinase in Complex with Novel Amino Thiazole Activator
分子名称: 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose
著者Voegtli, W.C.
登録日2013-09-06
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
6BDJ
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BU of 6bdj by Molmil
Crystal structure of dioxygenase Tetur07g02040
分子名称: FE (III) ION, Tetur07g02040
著者Daneshian, L, Schlachter, C.R, Chruszcz, M.
登録日2017-10-23
公開日2018-11-14
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
4MPN
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BU of 4mpn by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS10
分子名称: 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
著者Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
登録日2013-09-13
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MLH
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BU of 4mlh by Molmil
Human Glucokinase in Complex with a Novel Amino Thiazole Allosteric Activator
分子名称: 3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose
著者Voegtli, W.C.
登録日2013-09-06
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
6V3K
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BU of 6v3k by Molmil
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ419 (compound 4c)
分子名称: 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ...
著者Lyumkis, D, Jozwik, I.K, Passos, D.
登録日2019-11-25
公開日2020-02-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
7AZP
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BU of 7azp by Molmil
Structure of the human mitochondrial HSPD1 single ring
分子名称: 60 kDa heat shock protein, mitochondrial
著者Klebl, D.P, Feasey, M.C, Muench, S.P.
登録日2020-11-17
公開日2021-02-10
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of human mitochondrial HSPD1.
Iscience, 24, 2021
5Y3E
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BU of 5y3e by Molmil
Crystal structure of SARS coronavirus papain-like protease in complex with glycerol
分子名称: GLYCEROL, Replicase polyprotein 1a, SODIUM ION, ...
著者Lin, M.H, Chou, C.Y.
登録日2017-07-28
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Disulfiram can inhibit MERS and SARS coronavirus papain-like proteases via different modes
Antiviral Res., 150, 2017
4LA3
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BU of 4la3 by Molmil
Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ Y131A in complex with DMSP
分子名称: 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION
著者Zhang, Y, Li, C.
登録日2013-06-19
公開日2014-01-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
7AI4
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BU of 7ai4 by Molmil
Crystal structure of the KLC1-TPR domain truncated from its nonTPR region ([A1-B6]-Delta-nonTPR fragment)
分子名称: Isoform C of Kinesin light chain 1,Isoform C of Kinesin light chain 1
著者Menetrey, J, Llinas, P.
登録日2020-09-26
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.795 Å)
主引用文献Structural investigations of the dynamics of the TPR domain of kinesin light chain
To Be Published
7AIE
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BU of 7aie by Molmil
Crystal structure of a truncated form of the KLC1-TPR domain ([A1-B5] fragment) - Monoclinic crystal form
分子名称: Kinesin light chain 1, MAGNESIUM ION
著者Menetrey, J, Llinas, P.
登録日2020-09-27
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.287 Å)
主引用文献Structural investigations of the dynamics of the TPR domain of kinesin light chain
To Be Published
6UV5
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BU of 6uv5 by Molmil
Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate
分子名称: ACETYL COENZYME *A, ATP citrate lyase, OXALOACETATE ION
著者Wei, X, Marmorstein, R.
登録日2019-11-01
公開日2019-12-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis for acetyl-CoA production by ATP-citrate lyase.
Nat.Struct.Mol.Biol., 27, 2020
5Y4K
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BU of 5y4k by Molmil
Crystal structure of DddY mutant Y260A
分子名称: ACRYLIC ACID, DMSP lyase DddY, ZINC ION
著者Zhang, Y.Z, Li, C.Y.
登録日2017-08-03
公開日2017-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic Insights into Dimethylsulfoniopropionate Lyase DddY, a New Member of the Cupin Superfamily.
J. Mol. Biol., 429, 2017

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