7POI
 
 | | Prodomain bound BMP10 crystal form 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, D(-)-TARTARIC ACID | | Authors: | Guo, J, Yu, M, Li, W. | | Deposit date: | 2021-09-09 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7PPA
 | | High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10 | | Descriptor: | Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL | | Authors: | Guo, J, Yu, M, Read, R.J, Li, W. | | Deposit date: | 2021-09-13 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7POJ
 | | Prodomain bound BMP10 crystal form 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, TETRAETHYLENE GLYCOL | | Authors: | Guo, J, Yu, M, Li, W. | | Deposit date: | 2021-09-09 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7PPB
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7PPC
 | | Ternary signalling complex of BMP10 bound to ALK1 and BMPRII | | Descriptor: | Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, Serine/threonine-protein kinase receptor R3 | | Authors: | Guo, J, Yu, M, Read, R.J, Li, W. | | Deposit date: | 2021-09-13 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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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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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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6KJH
 | | Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | | Descriptor: | Putative beta-lactamase, SULFATE ION | | Authors: | Xiao, F, Sheng, D, Feng, Y, Li, W. | | Deposit date: | 2019-07-22 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
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6KJQ
 | | Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | | Descriptor: | (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase | | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | | Deposit date: | 2019-07-23 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
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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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6KJT
 | | Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | | Descriptor: | Putative beta-lactamase, SUCCINIC ACID | | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | | Deposit date: | 2019-07-23 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.113 Å) | | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
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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: | 2024-10-16 | | 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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6KJJ
 | | Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | | Descriptor: | 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid, Putative beta-lactamase | | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | | Deposit date: | 2019-07-22 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.492 Å) | | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 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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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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5OW7
 | | VDR complex | | Descriptor: | (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 | | Authors: | Rochel, N, Li, W. | | Deposit date: | 2017-08-31 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 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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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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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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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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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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2K2G
 | | Solution structure of the wild-type catalytic domain of human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor | | Descriptor: | Macrophage metalloelastase, N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine, ZINC ION | | Authors: | Markus, M.A, Dwyer, B, Wolfrom, S, Li, J, Li, W, Malakian, K, Wilhelm, J, Tsao, D.H.H. | | Deposit date: | 2008-04-01 | | Release date: | 2008-05-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of wild-type human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor.
J.Biomol.Nmr, 41, 2008
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6WVI
 | | VKOR-like from Takifugu rubripes | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein | | 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 (2.4 Å) | | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
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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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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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