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6IH6
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BU of 6ih6 by Molmil
Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide
分子名称: Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Song, X, Feng, Y, Liu, Y, Zhao, Z.
登録日2018-09-28
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
8Z9H
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BU of 8z9h by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription elongation-reception conformation
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
登録日2024-04-23
公開日2024-05-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z9Q
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BU of 8z9q by Molmil
Cryo-EM structure of Thogoto virus polymerase in a replication reception conformation
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ...
著者Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
登録日2024-04-23
公開日2024-05-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.33 Å)
主引用文献Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z8J
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BU of 8z8j by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 2
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
著者Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
登録日2024-04-22
公開日2024-05-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z9R
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BU of 8z9r by Molmil
Cryo-EM structure of Thogoto virus polymerase in a replication elongation-reception conformation
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ...
著者Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
登録日2024-04-23
公開日2024-05-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
4ZHJ
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BU of 4zhj by Molmil
Crystal Structure of the Catalytic Subunit of Magnesium Chelatase
分子名称: Mg-chelatase subunit ChlH
著者Chen, X, Pu, H, Fang, Y, Liu, L.
登録日2015-04-25
公開日2015-08-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Crystal structure of the catalytic subunit of magnesium chelatase
Nat.Plants, 1, 2015
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
6B4U
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BU of 6b4u by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
分子名称: 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Judge, R.A, Souers, A.J.
登録日2017-09-27
公開日2017-10-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
6B4L
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BU of 6b4l by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
分子名称: 3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Judge, R.A, Souers, A.J.
登録日2017-09-26
公開日2017-10-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
分子名称: 3372H, 3372L, Spike protein S1
著者Liu, P.L.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WR8
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BU of 7wr8 by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.1.529) in complex with BD55-3152 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-3152H, BD55-3152L, ...
著者Du, S, Xiao, J.Y.
登録日2022-01-26
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRL
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BU of 7wrl by Molmil
Local structure of BD55-1239 Fab and SARS-COV2 Omicron RBD complex
分子名称: BD55-1239H, BD55-1239L, Spike protein S1
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRZ
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BU of 7wrz by Molmil
Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ...
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-28
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
5OZ6
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BU of 5oz6 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 17
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.546 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZH
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BU of 5ozh by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 28
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.488 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZB
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BU of 5ozb by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 22
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.488 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZP
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BU of 5ozp by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 36
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P03
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BU of 5p03 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 50
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0I
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BU of 5p0i by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 65
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.149 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0U
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BU of 5p0u by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 77
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P19
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BU of 5p19 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 92
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.129 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1P
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BU of 5p1p by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 108
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.319 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P23
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BU of 5p23 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 121
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.713 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

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