5OW9
 
 | | Vitamin D receptor complex | | Descriptor: | (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 | | Authors: | Rochel, N, Li, W. | | Deposit date: | 2017-08-31 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | 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
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5OWD
 | | Vitamin D receptor complex | | Descriptor: | (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 | | Authors: | Rochel, N, Li, W. | | Deposit date: | 2017-08-31 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | 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
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6WV4
 | | Human VKOR C43S with warfarin | | Descriptor: | S-WARFARIN, Vitamin K epoxide reductase Cys43Ser mutant, termini restrained by green fluorescent protein | | Authors: | Liu, S, Sukumar, N, Li, W. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.012 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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6WV8
 | | Takifugu rubripes VKOR-like C138S mutant with vitamin K1 | | Descriptor: | PHYLLOQUINONE, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein | | Authors: | Liu, S, Sukumar, N, Li, W. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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6O5M
 | | Tubulin-RB3_SLD-TTL in complex with compound 10bb | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-04 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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6O5N
 | | Tubulin-RB3_SLD-TTL in complex with compound 10ab | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-04 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | 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
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6O61
 | | Tubulin-RB3_SLD-TTL in complex with compound ABI-231 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-05 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.599 Å) | | Cite: | 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
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6SF3
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6PC4
 | | Tubulin-RB3_SLD-TTL in complex with compound ABI-274 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
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6WV6
 | | Human VKOR with phenindione | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phenindione, Vitamin K epoxide reductase, ... | | Authors: | Liu, S, Sukumar, N, Li, W. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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6WV3
 | | Human VKOR with warfarin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, S-WARFARIN, Vitamin K epoxide reductase, ... | | Authors: | Liu, S, Sukumar, N, Li, W. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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6WVB
 | | Takifugu rubripes VKOR-like with warfarin | | Descriptor: | S-WARFARIN, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein | | Authors: | Liu, S, Sukumar, N, Li, W. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.872 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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6WVH
 | | Human VKOR with Brodifacoum | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Brodifacoum, Vitamin K epoxide reductase, ... | | Authors: | Liu, S, Sukumar, N, Li, W. | | Deposit date: | 2020-05-06 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | Deposit date: | 2016-12-08 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
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6WVG
 | | human CD53 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Green fluorescent protein, ... | | Authors: | Yang, Y, Liu, S, Li, W. | | Deposit date: | 2020-05-06 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Open conformation of tetraspanins shapes interaction partner networks on cell membranes.
Embo J., 39, 2020
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6SF2
 | | Ternary complex of human bone morphogenetic protein 9 (BMP9) growth factor domain, its prodomain and extracellular domain of activin receptor-like kinase 1 (ALK1). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Growth/differentiation factor 2, Serine/threonine-protein kinase receptor R3 | | Authors: | Salmon, R.M, Guo, J, Yu, M, Li, W. | | Deposit date: | 2019-07-31 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Molecular basis of ALK1-mediated signalling by BMP9/BMP10 and their prodomain-bound forms.
Nat Commun, 11, 2020
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6SF1
 | | Bone morphogenetic protein 10 (BMP10) complexed with extracellular domain of activin receptor-like kinase 1 (ALK1). | | Descriptor: | Bone morphogenetic protein 10, NICKEL (II) ION, Serine/threonine-protein kinase receptor R3 | | Authors: | Salmon, R.M, Guo, J, Yu, M, Li, W. | | Deposit date: | 2019-07-30 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular basis of ALK1-mediated signalling by BMP9/BMP10 and their prodomain-bound forms.
Nat Commun, 11, 2020
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7AKD
 | | Structure of the SARS-CoV-2 spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2020-09-30 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
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7AKJ
 | | Structure of the SARS-CoV spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2020-10-01 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
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5DF6
 | | Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip | | Authors: | Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-08-26 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP.
Biochem.J., 473, 2016
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6WV5
 | | Human VKOR C43S mutant with vitamin K1 epoxide | | Descriptor: | (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 | | Authors: | Liu, S, Sukumar, N, Li, W. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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6Q07
 | | MERS-CoV S structure in complex with 2,6-sialyl-N-acetyl-lactosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | | Authors: | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2019-08-01 | | Release date: | 2019-12-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
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6WV9
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6WVA
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6WVD
 | | Human JAGN1 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Green fluorescent protein, Protein jagunal homolog 1 chimera | | Authors: | Yang, Y, Liu, S, Li, W. | | Deposit date: | 2020-05-05 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Termini restraining of small membrane proteins enables structure determination at near-atomic resolution.
Sci Adv, 6, 2020
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