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7T1E
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BU of 7t1e by Molmil
Structure of monomeric and dimeric human CCL20
分子名称: C-C motif chemokine 20, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Peterson, F.C, Riutta, S.J, Volkman, B.F.
登録日2021-12-01
公開日2022-12-14
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.459 Å)
主引用文献The Chemokine, CCL20, and Its Receptor, CCR6, in the Pathogenesis and Treatment of Psoriasis and Psoriatic Arthritis
J Psoriasis Psoriatic Arthritis, 8, 2023
6YCL
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BU of 6ycl by Molmil
Crystal structure of GcoA T296G bound to p-vanillin
分子名称: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCH
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BU of 6ych by Molmil
Crystal structure of GcoA T296A bound to guaiacol
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, DuBois, J.L, Beckham, G.T, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCO
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BU of 6yco by Molmil
Crystal structure of GcoA F169S bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCK
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BU of 6yck by Molmil
Crystal structure of GcoA T296A bound to p-vanillin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCJ
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BU of 6ycj by Molmil
Crystal structure of GcoA T296S bound to guaiacol
分子名称: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCP
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BU of 6ycp by Molmil
Crystal structure of GcoA F169V bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6Y0B
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BU of 6y0b by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with quinazolin-4-amine and PKI (5-24)
分子名称: DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
著者Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2020-02-07
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
6YCN
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BU of 6ycn by Molmil
Crystal structure of GcoA F169A bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCM
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BU of 6ycm by Molmil
Crystal structure of GcoA T296S bound to p-vanillin
分子名称: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
2IIR
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BU of 2iir by Molmil
Acetate kinase from a hypothermophile Thermotoga maritima
分子名称: Acetate kinase
著者Mukhopadhyay, S, Hasson, M.S, Sanders, D.A.
登録日2006-09-28
公開日2007-09-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Acetate kinase from a hypothermophile Thermotoga maritima
To be Published
6YCI
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BU of 6yci by Molmil
Crystal structure of GcoA T296G bound to guaiacol
分子名称: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
7OD9
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BU of 7od9 by Molmil
Crystal structure of activated CheY fused to the C-terminal domain of CheF
分子名称: BERYLLIUM TRIFLUORIDE ION, C-terminal domain of CheF from Methanococcus maripaludis, MAGNESIUM ION, ...
著者Altegoer, F, Weiland, P, Bange, G.
登録日2021-04-29
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the mechanism of archaellar rotational switching.
Nat Commun, 13, 2022
2IC9
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BU of 2ic9 by Molmil
The Coiled-coil Domain (residues 1-93) Structure of the Sin Nombre Virus Nucleocapsid Protein
分子名称: Nucleocapsid protein
著者Boudko, S.P, Rossmann, M.G.
登録日2006-09-12
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Coiled-coil Domain Structure of the Sin Nombre Virus Nucleocapsid Protein.
J.Mol.Biol., 366, 2007
6YBA
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BU of 6yba by Molmil
HAdV-F41 Capsid
分子名称: Hexon protein, Hexon-interlacing protein, Penton protein, ...
著者Perez Illana, M, Martinez, M, Mangroo, C, Brown, M, Marabini, R, San Martin, C.
登録日2020-03-16
公開日2021-03-10
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structure of enteric adenovirus HAdV-F41 highlights structural variations among human adenoviruses.
Sci Adv, 7, 2021
2JIZ
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BU of 2jiz by Molmil
The Structure of F1-ATPase inhibited by resveratrol.
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE GAMMA CHAIN, ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, ...
著者Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
登録日2007-07-03
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols.
Proc.Natl.Acad.Sci.USA, 104, 2007
6Y99
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BU of 6y99 by Molmil
hSTING mutant R232K in complex with 2',3'-cGAMP
分子名称: Stimulator of interferon genes protein, cGAMP
著者Boura, E, Smola, M.
登録日2020-03-06
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.984 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6Y9H
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BU of 6y9h by Molmil
Thrombin in complex with D-Phe-Pro-m-Trifluoromethylbenzylamide derivative (phe2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-Phe-Pro-m-Trifluoromethylbenzylamide derivative (phe2), DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G, Abazi, N.
登録日2020-03-09
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Thrombin in complex with D-Phe-Pro-m-Trifluoromethylbenzylamide derivative (phe2)
To be published
7ODI
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BU of 7odi by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with methanesulfonamide
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-29
公開日2022-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7ODD
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BU of 7odd by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with tricine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-29
公開日2022-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
6YDB
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BU of 6ydb by Molmil
Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-03-20
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YDZ
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BU of 6ydz by Molmil
Human wtSTING in complex with 3',3'-cGAMP
分子名称: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-03-23
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
7T5Q
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BU of 7t5q by Molmil
Cryo-EM Structure of a Transition State of Arp2/3 Complex Activation
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Rebowski, G, van Eeuwen, T, Boczkowska, M, Dominguez, R.
登録日2021-12-13
公開日2023-06-14
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of an Arp2/3 complex mini-branch capped by capping protein (CapZ)
To Be Published
6YF8
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BU of 6yf8 by Molmil
DYRK1A with PST001
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide
著者Rothweiler, U.
登録日2020-03-26
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.198 Å)
主引用文献DYRK1A with PST001
To Be Published
7O23
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BU of 7o23 by Molmil
C-terminal head domain of the trimeric autotransporter adhesin BpaC from Burkholderia pseudomallei fused to a GCN4 anchor
分子名称: Autotransporter adhesin BpaC,Autotransporter adhesin BpaC,General control transcription factor GCN4, GLYCEROL, SODIUM ION
著者Kiessling, A.R, Goldman, A.
登録日2021-03-30
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The C-terminal head domain of Burkholderia pseudomallei BpaC has a striking hydrophilic core with an extensive solvent network.
Mol.Microbiol., 118, 2022

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件を2024-08-14に公開中

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