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6WV8
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BU of 6wv8 by Molmil
Takifugu rubripes VKOR-like C138S mutant with vitamin K1
分子名称: PHYLLOQUINONE, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2020-11-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WV6
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BU of 6wv6 by Molmil
Human VKOR with phenindione
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phenindione, Vitamin K epoxide reductase, ...
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2020-11-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WV3
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BU of 6wv3 by Molmil
Human VKOR with warfarin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, S-WARFARIN, Vitamin K epoxide reductase, ...
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2020-11-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WVH
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BU of 6wvh by Molmil
Human VKOR with Brodifacoum
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Brodifacoum, Vitamin K epoxide reductase, ...
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-06
公開日2020-11-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WV5
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BU of 6wv5 by Molmil
Human VKOR C43S mutant with vitamin K1 epoxide
分子名称: (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione, Vitamin K epoxide reductase Cys43Ser mutant, termini restrained by green fluorescent protein
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2020-11-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WVB
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BU of 6wvb by Molmil
Takifugu rubripes VKOR-like with warfarin
分子名称: S-WARFARIN, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2020-11-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.872 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
5OWD
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BU of 5owd by Molmil
Vitamin D receptor complex
分子名称: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Li, W.
登録日2017-08-31
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
5OW7
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BU of 5ow7 by Molmil
VDR complex
分子名称: (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Li, W.
登録日2017-08-31
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
5OW9
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BU of 5ow9 by Molmil
Vitamin D receptor complex
分子名称: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Li, W.
登録日2017-08-31
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
5DF6
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BU of 5df6 by Molmil
Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide
分子名称: Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip
著者Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-08-26
公開日2015-09-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP.
Biochem.J., 473, 2016
4WJA
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BU of 4wja by Molmil
Crystal Structure of PAXX
分子名称: Uncharacterized protein C9orf142
著者Xing, M, Yang, M, Huo, W, Feng, F, Wei, L, Ning, S, Yan, Z, Li, W, Wang, Q, Hou, M, Dong, C, Guo, R, Gao, G, Ji, J, Lan, L, Liang, H, Xu, D.
登録日2014-09-29
公開日2015-03-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Interactome analysis identifies a new paralogue of XRCC4 in non-homologous end joining DNA repair pathway.
Nat Commun, 6, 2015
6WVG
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BU of 6wvg by Molmil
human CD53
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Green fluorescent protein, ...
著者Yang, Y, Liu, S, Li, W.
登録日2020-05-06
公開日2020-09-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Open conformation of tetraspanins shapes interaction partner networks on cell membranes.
Embo J., 39, 2020
7POI
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BU of 7poi by Molmil
Prodomain bound BMP10 crystal form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, D(-)-TARTARIC ACID
著者Guo, J, Yu, M, Li, W.
登録日2021-09-09
公開日2022-05-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7POJ
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BU of 7poj by Molmil
Prodomain bound BMP10 crystal form 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, TETRAETHYLENE GLYCOL
著者Guo, J, Yu, M, Li, W.
登録日2021-09-09
公開日2022-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PPB
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BU of 7ppb by Molmil
2.4 angstrom crystal structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
分子名称: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2
著者Guo, J, Yu, M, Li, W.
登録日2021-09-13
公開日2022-05-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PPA
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BU of 7ppa by Molmil
High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
分子名称: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL
著者Guo, J, Yu, M, Read, R.J, Li, W.
登録日2021-09-13
公開日2022-05-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PPC
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BU of 7ppc by Molmil
Ternary signalling complex of BMP10 bound to ALK1 and BMPRII
分子名称: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, Serine/threonine-protein kinase receptor R3
著者Guo, J, Yu, M, Read, R.J, Li, W.
登録日2021-09-13
公開日2022-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7AKJ
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BU of 7akj by Molmil
Structure of the SARS-CoV spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J.
登録日2020-10-01
公開日2021-05-19
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
7AKD
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Structure of the SARS-CoV-2 spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment
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, 47D11 neutralizing antibody heavy chain, ...
著者Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J.
登録日2020-09-30
公開日2021-05-19
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
6N47
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BU of 6n47 by Molmil
The structure of SB-2-204-tubulin complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W.
登録日2018-11-17
公開日2019-11-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors.
Acs Chem.Biol., 14, 2019
2K2G
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BU of 2k2g by Molmil
Solution structure of the wild-type catalytic domain of human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor
分子名称: Macrophage metalloelastase, N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine, ZINC ION
著者Markus, M.A, Dwyer, B, Wolfrom, S, Li, J, Li, W, Malakian, K, Wilhelm, J, Tsao, D.H.H.
登録日2008-04-01
公開日2008-05-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of wild-type human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor.
J.Biomol.Nmr, 41, 2008
6PC4
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BU of 6pc4 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound ABI-274
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2019-06-15
公開日2020-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
6O61
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BU of 6o61 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound ABI-231
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2019-03-05
公開日2019-07-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
5DJO
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BU of 5djo by Molmil
Crystal structure of the CC1-FHA tandem of Kinesin-3 KIF13A
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Ren, J.Q, Li, W, Huo, L, Feng, W.
登録日2015-09-02
公開日2015-12-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural Correlation of the Neck Coil with the Coiled-coil (CC1)-Forkhead-associated (FHA) Tandem for Active Kinesin-3 KIF13A
J.Biol.Chem., 291, 2016
6WV9
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BU of 6wv9 by Molmil
Takifugu rubripes VKOR-like with vitamin K1 in noncatalytic state
分子名称: Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2021-02-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021

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