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8OR1
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BU of 8or1 by Molmil
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
Descriptor: 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1
Authors:Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W.
Deposit date:2023-04-12
Release date:2023-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors.
J.Med.Chem., 66, 2023
4BZC
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BU of 4bzc by Molmil
Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core
Descriptor: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION, ...
Authors:Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
4BZB
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BU of 4bzb by Molmil
Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION
Authors:Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
4DKE
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BU of 4dke by Molmil
Crystal Structure of Human Interleukin-34 Bound to FAb1.1
Descriptor: FAb1.1 Heavy Chain, FAb1.1 Light Chain, Interleukin-34, ...
Authors:Ma, X, Chen, Y, Stawicki, S, Wu, Y, Bazan, J.F, Starovasnik, M.A.
Deposit date:2012-02-03
Release date:2012-04-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for the Dual Recognition of Helical Cytokines IL-34 and CSF-1 by CSF-1R.
Structure, 20, 2012
4DKF
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BU of 4dkf by Molmil
Crystal Structure of Human Interleukin-34 Bound to FAb2
Descriptor: FAb2 Heavy Chain, FAb2 Light Chain, Interleukin-34, ...
Authors:Ma, X, Chen, Y, Stawicki, S, Wu, Y, Bazan, J.F, Starovasnik, M.A.
Deposit date:2012-02-03
Release date:2012-04-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural Basis for the Dual Recognition of Helical Cytokines IL-34 and CSF-1 by CSF-1R.
Structure, 20, 2012
5VEW
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BU of 5vew by Molmil
Structure of the human GLP-1 receptor complex with PF-06372222
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin chimera, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine, ...
Authors:Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C.
Deposit date:2017-04-05
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
3SOB
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BU of 3sob by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a FAB
Descriptor: CALCIUM ION, Low-density lipoprotein receptor-related protein 6, antibody heavy chain, ...
Authors:Wang, W, Bourhis, E, Tam, C, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
Deposit date:2011-06-30
Release date:2011-09-21
Last modified:2014-05-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
3SOQ
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BU of 3soq by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a DKK1 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dickkopf-related protein 1, ...
Authors:Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
Deposit date:2011-06-30
Release date:2011-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
6GZC
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BU of 6gzc by Molmil
heterotetrameric katanin p60:p80 complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Katanin p60 ATPase-containing subunit A1, ...
Authors:Faltova, L, Jiang, K, Frey, D, Wu, Y, Capitani, G, Prota, A.E, Akhmanova, A, Steinmetz, M.O, Kammerer, R.A.
Deposit date:2018-07-03
Release date:2019-08-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a Heterotetrameric Katanin p60:p80 Complex.
Structure, 27, 2019
6GWE
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BU of 6gwe by Molmil
Crystal structure of Thrombin bound to P2 macrocycle
Descriptor: (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cendron, L, Angelini, A, Kale, S.S, Bergeron-Brlek, M, Wu, Y, Heinis, C.
Deposit date:2018-06-23
Release date:2019-09-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands.
Sci Adv, 5, 2019
8SSX
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BU of 8ssx by Molmil
Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution
Descriptor: 1,2-ETHANEDIOL, Dihydrofolate reductase, SULFATE ION
Authors:Shaw, G.X, Li, Y, Wu, Y, Yan, H, Ji, X.
Deposit date:2023-05-09
Release date:2023-05-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution
To be published
3SOV
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BU of 3sov by Molmil
The structure of a beta propeller domain in complex with peptide S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low-density lipoprotein receptor-related protein 6, ...
Authors:Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
Deposit date:2011-06-30
Release date:2011-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
3N2N
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BU of 3n2n by Molmil
The Crystal Structure of Tumor Endothelial Marker 8 (TEM8) extracellular domain
Descriptor: ACETATE ION, Anthrax toxin receptor 1, MAGNESIUM ION
Authors:Fu, S, Tong, X.H, Wu, Y, Li, Y.Y, Rao, Z.H.
Deposit date:2010-05-18
Release date:2011-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of tumor endothelial marker 8 (TEM8) extracellular domain and implications for its receptor function for recognizing anthrax toxin.
Plos One, 5, 2010
6BD4
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BU of 6bd4 by Molmil
Crystal structure of human apo-Frizzled4 receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Frizzled-4/Rubredoxin chimeric protein, OLEIC ACID, ...
Authors:Yang, S, Wu, Y, Pu, M, Chen, Y, Dong, S, Guo, Y, Han, G.Y, Stevens, R.C, Zhao, S, Xu, F.
Deposit date:2017-10-21
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the Frizzled 4 receptor in a ligand-free state.
Nature, 560, 2018
4KOM
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BU of 4kom by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with avian receptor analog 3'SLNLN (NeuAcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4Glc)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-05-12
Release date:2013-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
4KON
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BU of 4kon by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with human receptor analog 6'SLNLN (NeuAcα2-6Galβ1-4GlcNAcβ1-3Galβ1-4Glc)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-05-12
Release date:2013-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
4KOL
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BU of 4kol by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-05-12
Release date:2013-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
4LKG
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BU of 4lkg by Molmil
The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with avian receptor analog 3'SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-07-07
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKK
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BU of 4lkk by Molmil
The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with human receptor analog 6'SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, hemagglutinin
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-07-07
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKJ
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BU of 4lkj by Molmil
The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with avian receptor analog 3'SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-07-07
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKH
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BU of 4lkh by Molmil
The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with human receptor analog 6'SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-07-07
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.099 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LCX
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BU of 4lcx by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus (A/Shanghai/1/2013)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-06-24
Release date:2013-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.094 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
4LKI
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BU of 4lki by Molmil
The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-07-07
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
1RII
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BU of 1rii by Molmil
Crystal structure of phosphoglycerate mutase from M. Tuberculosis
Descriptor: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, GLYCEROL
Authors:Mueller, P, Sawaya, M.R, Chan, S, Wu, Y, Pashkova, I, Perry, J, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-11-17
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.70 angstroms X-ray crystal structure of Mycobacterium tuberculosis phosphoglycerate mutase.
Acta Crystallogr.,Sect.D, 61, 2005
1TQE
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BU of 1tqe by Molmil
Mechanism of recruitment of class II histone deacetylases by myocyte enhancer factor-2
Descriptor: Histone deacetylase 9, MEF2 binding site of nur77 promoter, Myocyte-specific enhancer factor 2B
Authors:Chen, L, Han, A, He, J, Wu, Y, Liu, J.O.
Deposit date:2004-06-17
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of Recruitment of Class II Histone Deacetylases by Myocyte Enhancer Factor-2.
J.Mol.Biol., 345, 2005

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