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7ARO
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BU of 7aro by Molmil
Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor
分子名称: 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
著者Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A.
登録日2020-10-25
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.119 Å)
主引用文献Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
6GPX
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BU of 6gpx by Molmil
CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812
分子名称: C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, OLEIC ACID, ZINC ION, ...
著者Pautsch, A, Schnapp, G, Cheng, R, Apel, A.
登録日2018-06-07
公開日2019-01-02
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists.
Structure, 27, 2019
9CSI
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BU of 9csi by Molmil
A. baumannii MsbA Bound to Cerastecin Compound 5
分子名称: 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ...
著者Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M.
登録日2024-07-23
公開日2024-09-04
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
8YJY
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BU of 8yjy by Molmil
Cryo-EM Structure of CdnG-E2 complex from Serratia marcescens
分子名称: SmCdnG, Type VI secretion protein
著者Xiao, J, Wang, L.
登録日2024-03-03
公開日2024-05-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Phage defence system CBASS is regulated by a prokaryotic E2 enzyme that imitates the ubiquitin pathway.
Nat Microbiol, 9, 2024
4WXR
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BU of 4wxr by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound inhibitor at 2.42 A resolution
分子名称: NS3, {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid
著者Davies, D.R, Kim, H, Lorimer, D.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound inhibitor
TO BE PUBLISHED
4WXP
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BU of 4wxp by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor at 2.08 A resolution
分子名称: (1-methyl-1H-indol-3-yl)acetic acid, CHLORIDE ION, NS3-4 protease, ...
著者Davies, D.R.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor
TO BE PUBLISHED
5NM5
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BU of 5nm5 by Molmil
Tubulin Darpin room-temperature structure in complex with Colchicine determined by serial millisecond crystallography
分子名称: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NJM
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BU of 5njm by Molmil
Lysozyme room-temperature structure determined by serial millisecond crystallography
分子名称: Lysozyme C
著者Weinert, T, Vera, L, Marsh, M, James, D, Gashi, D, Nogly, P, Jaeger, K, Standfuss, J.
登録日2017-03-29
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NQT
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BU of 5nqt by Molmil
Tubulin Darpin room-temperature structure determined by serial millisecond crystallography
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-21
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NQU
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BU of 5nqu by Molmil
Tubulin Darpin cryo structure
分子名称: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-21
公開日2017-09-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5O5W
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BU of 5o5w by Molmil
Molybdenum storage protein room-temperature structure determined by serial millisecond crystallography
分子名称: (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Steffen, B, Weinert, T, Ermler, U, Standfuss, J.
登録日2017-06-02
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
6O6M
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BU of 6o6m by Molmil
The Structure of EgtB (Cabther)
分子名称: EgtB (Cabther), FE (III) ION, GLYCEROL
著者Irani, S, Zhang, Y.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
6V51
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BU of 6v51 by Molmil
Spin-labeled T4 Lysozyme (9/131FnbY)-(4-Amino-TEMPO)
分子名称: 4-amino-2,2,6,6-tetramethylpiperidin-1-ol, Endolysin
著者Liu, J, Morizumi, T, Ou, W.L, Wang, L, Ernst, O.P.
登録日2019-12-02
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Genetically Encoded Quinone Methides Enabling Rapid, Site-Specific, and Photocontrolled Protein Modification with Amine Reagents.
J.Am.Chem.Soc., 142, 2020
8JQ9
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BU of 8jq9 by Molmil
Structure of Gabija GajA
分子名称: Endonuclease GajA
著者Li, J, Wang, Z, Wang, L.
登録日2023-06-13
公開日2024-02-28
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8JQC
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BU of 8jqc by Molmil
Structure of Gabija GajA-GajB 4:1 complex
分子名称: Endonuclease GajA, Gabija protein GajB
著者Li, J, Wang, Z, Wang, L.
登録日2023-06-13
公開日2024-02-28
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8JQB
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BU of 8jqb by Molmil
Structure of Gabija GajA-GajB 4:4 Complex
分子名称: Endonuclease GajA, Gabija protein GajB
著者Li, J, Wang, Z, Wang, L.
登録日2023-06-13
公開日2024-02-28
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
6O6L
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BU of 6o6l by Molmil
The Structure of EgtB(Cabther) in complex with Hercynine
分子名称: EgtB (Cabther), FE (III) ION, N,N,N-trimethyl-histidine
著者Irani, S, Zhang, Y.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
7WSB
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BU of 7wsb by Molmil
The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B
分子名称: 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ...
著者Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P.
登録日2022-01-28
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues.
Jacs Au, 2, 2022
8X5I
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BU of 8x5i by Molmil
Structure of ATP/Mg2+ bound Gabija GajA
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA, MAGNESIUM ION
著者Li, J, Wang, Z, Wang, L.
登録日2023-11-17
公開日2024-02-28
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8WY4
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BU of 8wy4 by Molmil
GajA tetramer with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA
著者Li, J, Wang, Z, Wang, L.
登録日2023-10-30
公開日2024-02-28
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8X51
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BU of 8x51 by Molmil
Structure of DNA-bound GajA dimer (focused refinement)
分子名称: CALCIUM ION, DNA (5'-D(*AP*AP*AP*AP*AP*TP*AP*AP*CP*CP*GP*GP*GP*TP*TP*AP*TP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*TP*AP*AP*CP*CP*CP*GP*GP*TP*TP*AP*TP*TP*TP*TP*T)-3'), ...
著者Li, J, Wang, Z, Wang, L.
登録日2023-11-16
公開日2024-02-28
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8WY5
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BU of 8wy5 by Molmil
Structure of Gabija GajA in complex with DNA
分子名称: CALCIUM ION, DNA (5'-D(P*AP*AP*AP*AP*TP*AP*AP*CP*CP*GP*GP*GP*TP*TP*AP*TP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*AP*TP*AP*AP*CP*CP*CP*GP*GP*TP*TP*AP*TP*TP*TP*T)-3'), ...
著者Li, J, Wang, Z, Wang, L.
登録日2023-10-30
公開日2024-02-28
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8X5N
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BU of 8x5n by Molmil
Structure of ATP/Mg2+ bound Gabija GajA-GajB 4:4 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA, Gabija protein GajB, ...
著者Li, J, Wang, Z, Wang, L.
登録日2023-11-17
公開日2024-02-28
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8HSB
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BU of 8hsb by Molmil
Cryo-EM Structure of CdnG-E2 complex from Serratia marcescens (UltrAuFoil)
分子名称: CdnG, Type VI secretion protein
著者Xiao, J, Wang, L.
登録日2022-12-18
公開日2024-05-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Phage defence system CBASS is regulated by a prokaryotic E2 enzyme that imitates the ubiquitin pathway.
Nat Microbiol, 9, 2024
8HXB
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BU of 8hxb by Molmil
Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2
分子名称: NFkB inhibitor, T-lymphocyte activation antigen CD86
著者Wang, Y, Yang, S, Zhao, H, Deng, Z.
登録日2023-01-04
公開日2023-08-30
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023

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