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5KAF
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BU of 5kaf by Molmil
RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-06-01
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.00001 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
5KAI
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NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-06-01
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.80000925 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
6M6I
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BU of 6m6i by Molmil
Structure of HSV2 B-capsid portal vertex
分子名称: Coiled coils chain 1, Coiled coils chain 2, Major capsid protein, ...
著者Wang, X.X, Wang, N.
登録日2020-03-14
公開日2021-03-10
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
6M6H
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BU of 6m6h by Molmil
Structure of HSV2 C-capsid portal vertex
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
著者Wang, X.X, Wang, N.
登録日2020-03-14
公開日2021-03-24
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
6M6G
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BU of 6m6g by Molmil
Structure of HSV2 viron capsid portal vertex
分子名称: Capsid vertex component 1, Capsid vertex component 2, Coiled coils, ...
著者Wang, X.X, Wang, N.
登録日2020-03-14
公開日2021-03-24
実験手法ELECTRON MICROSCOPY (5.39 Å)
主引用文献Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
3A0E
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BU of 3a0e by Molmil
Crystal Structure of Polygonatum cyrtonema lectin (PCL) complexed with dimannoside
分子名称: Mannose/sialic acid-binding lectin, SULFATE ION, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose
著者Ding, J, Wang, D.C.
登録日2009-03-16
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of a novel anti-HIV mannose-binding lectin from Polygonatum cyrtonema Hua with unique ligand-binding property and super-structure
J.Struct.Biol., 171, 2010
3A0C
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BU of 3a0c by Molmil
Crystal Structure of an anti-HIV mannose-binding lectin from Polygonatum cyrtonema Hua
分子名称: Mannose/sialic acid-binding lectin
著者Ding, J, Wang, D.C.
登録日2009-03-16
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of a novel anti-HIV mannose-binding lectin from Polygonatum cyrtonema Hua with unique ligand-binding property and super-structure
J.Struct.Biol., 171, 2010
3A0D
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BU of 3a0d by Molmil
Crystal Structure of Polygonatum cyrtonema lectin (PCL) complexed with monomannoside
分子名称: Mannose/sialic acid-binding lectin, SULFATE ION, methyl alpha-D-mannopyranoside
著者Ding, J, Wang, D.C.
登録日2009-03-16
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of a novel anti-HIV mannose-binding lectin from Polygonatum cyrtonema Hua with unique ligand-binding property and super-structure
J.Struct.Biol., 171, 2010
5MG0
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BU of 5mg0 by Molmil
Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography
分子名称: 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ...
著者Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M.
登録日2016-11-20
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
5MG1
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BU of 5mg1 by Molmil
Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M.
登録日2016-11-20
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
6E37
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BU of 6e37 by Molmil
O-GlcNAc Transferase in complex with covalent inhibitor
分子名称: (2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), O-GlcNAc transferase subunit p110, TYR-PRO-GLY-GLY-SER-THR-PRO-VAL-SER-SER-ALA-ASN
著者Li, H, Jiang, J.
登録日2018-07-13
公開日2019-11-06
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.531 Å)
主引用文献Targeted covalent inhibition of O-GlcNAc transferase in cells.
Chem.Commun.(Camb.), 55, 2019
7CAI
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BU of 7cai by Molmil
SARS-CoV-2 S trimer with two RBDs in the open state and complexed with two H014 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, Heavy chain of H014 Fab, ...
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-09-23
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
7CAH
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BU of 7cah by Molmil
The interface of H014 Fab binds to SARS-CoV-2 S
分子名称: Heavy chain of H014 Fab, Light chain of H014 Fab, Spike protein S1
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Rao, Z, wang, Y, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-08-12
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
7CAK
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BU of 7cak by Molmil
SARS-CoV-2 S trimer with three RBD in the open state and complexed with three H014 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, Heavy chain of H014 Fab, ...
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-09-23
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
7CAB
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BU of 7cab by Molmil
Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody
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, Spike glycoprotein
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-12-16
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
7CAC
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BU of 7cac by Molmil
SARS-CoV-2 S trimer with one RBD in the open state and complexed with one H014 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, Heavy chain of H014 Fab, ...
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2021-02-24
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
5JJU
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BU of 5jju by Molmil
Crystal structure of Rv2837c complexed with 5'-pApA and 5'-AMP
分子名称: ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA (5'-R(P*AP*A)-3'), ...
著者Wang, F, He, Q, Liu, S, Gu, L.
登録日2016-04-25
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Structural and biochemical insight into the mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP phosphodiesterase
J.Biol.Chem., 291, 2016
8H8Y
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BU of 8h8y by Molmil
Crystal structure of AbHheG from Acidimicrobiia bacterium
分子名称: GLYCEROL, alpha/beta hydrolase
著者Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
登録日2022-10-24
公開日2023-08-02
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
8HQP
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BU of 8hqp by Molmil
Crystal structure of AbHheG mutant from Acidimicrobiia bacterium
分子名称: AbHheG_m
著者Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
登録日2022-12-13
公開日2023-08-02
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
6IHI
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BU of 6ihi by Molmil
Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O
分子名称: (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M.
登録日2018-09-30
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
6IHH
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BU of 6ihh by Molmil
Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O
分子名称: (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M.
登録日2018-09-30
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
8JQK
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BU of 8jqk by Molmil
Crystal structure of a carbonyl reductase SSCR mutant from Sporobolomyces Salmonicolor
分子名称: Aldehyde reductase 2
著者Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M.
登録日2023-06-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
8JQJ
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BU of 8jqj by Molmil
Crystal structure of carbonyl reductase SSCR mutant 1 from Sporobolomyces Salmonicolor
分子名称: Aldehyde reductase 2
著者Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M.
登録日2023-06-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
7BPC
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BU of 7bpc by Molmil
Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with 2,5-DHBA
分子名称: 2,3-dihydroxybenzoate decarboxylase, 2,5-dihydroxybenzoic acid, ZINC ION
著者Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M.
登録日2020-03-22
公開日2020-07-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism.
Chembiochem, 21, 2020
7BP1
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Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with Catechol
分子名称: 2,3-dihydroxybenzoate decarboxylase, CATECHOL, ZINC ION
著者Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M.
登録日2020-03-21
公開日2020-07-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism.
Chembiochem, 21, 2020

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