6W5U
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![BU of 6w5u by Molmil](/molmil-images/mine/6w5u) | NPC1 structure in GDN micelles at pH 5.5, conformation b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Yan, N, Qian, H.W, Wu, X.L. | Deposit date: | 2020-03-13 | Release date: | 2020-06-17 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2. Cell, 182, 2020
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6W5T
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![BU of 6w5t by Molmil](/molmil-images/mine/6w5t) | NPC1 structure in GDN micelles at pH 5.5, conformation a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Yan, N, Qian, H.W, Wu, X.L. | Deposit date: | 2020-03-13 | Release date: | 2020-06-17 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2. Cell, 182, 2020
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1ZXC
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![BU of 1zxc by Molmil](/molmil-images/mine/1zxc) | Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor | Descriptor: | (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Zhang, Y, Jin, G, Cowling, R, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-06-07 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 15, 2005
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6IEH
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![BU of 6ieh by Molmil](/molmil-images/mine/6ieh) | Crystal structures of the hMTR4-NRDE2 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ... | Authors: | Chen, J.Y, Yun, C.H. | Deposit date: | 2018-09-14 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.892 Å) | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction. Genes Dev., 33, 2019
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6P2J
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![BU of 6p2j by Molmil](/molmil-images/mine/6p2j) | Dimeric structure of ACAT1 | Descriptor: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | Authors: | Yan, N, Qian, H.W. | Deposit date: | 2019-05-21 | Release date: | 2020-05-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for catalysis and substrate specificity of human ACAT1. Nature, 581, 2020
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6P2P
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![BU of 6p2p by Molmil](/molmil-images/mine/6p2p) | Tetrameric structure of ACAT1 | Descriptor: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | Authors: | Yan, N, Qian, H.W. | Deposit date: | 2019-05-21 | Release date: | 2020-05-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for catalysis and substrate specificity of human ACAT1. Nature, 581, 2020
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5Z8L
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![BU of 5z8l by Molmil](/molmil-images/mine/5z8l) | |
5Z8N
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![BU of 5z8n by Molmil](/molmil-images/mine/5z8n) | |
6W5S
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![BU of 6w5s by Molmil](/molmil-images/mine/6w5s) | NPC1 structure in GDN micelles at pH 8.0 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Qian, H.W, Wu, X.L. | Deposit date: | 2020-03-13 | Release date: | 2020-06-17 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2. Cell, 182, 2020
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6W5V
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![BU of 6w5v by Molmil](/molmil-images/mine/6w5v) | NPC1-NPC2 complex structure at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Yan, N, Qian, H.W, Wu, X.L. | Deposit date: | 2020-03-13 | Release date: | 2020-06-17 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2. Cell, 182, 2020
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6W5R
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![BU of 6w5r by Molmil](/molmil-images/mine/6w5r) | NPC1 structure in Nanodisc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Yan, N, Qian, H.W, Wu, X.L. | Deposit date: | 2020-03-13 | Release date: | 2020-06-17 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2. Cell, 182, 2020
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6IEG
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![BU of 6ieg by Molmil](/molmil-images/mine/6ieg) | Crystal structure of human MTR4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION | Authors: | Chen, J.Y, Yun, C.H. | Deposit date: | 2018-09-14 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction. Genes Dev., 33, 2019
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5HH7
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![BU of 5hh7 by Molmil](/molmil-images/mine/5hh7) | |
3UNP
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![BU of 3unp by Molmil](/molmil-images/mine/3unp) | Structure of human SUN2 SUN domain | Descriptor: | ACETYL GROUP, SUN domain-containing protein 2 | Authors: | Zhou, Z.C, Greene, M.I. | Deposit date: | 2011-11-16 | Release date: | 2011-12-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of Sad1-UNC84 homology (SUN) domain defines features of molecular bridge in nuclear envelope J.Biol.Chem., 287, 2012
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6LU7
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![BU of 6lu7 by Molmil](/molmil-images/mine/6lu7) | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-01-26 | Release date: | 2020-02-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
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6JQH
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![BU of 6jqh by Molmil](/molmil-images/mine/6jqh) | Crystal structure of MaDA | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MaDA | Authors: | Du, X.X, Lei, X.G. | Deposit date: | 2019-03-31 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis. Nat.Chem., 12, 2020
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8EEC
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![BU of 8eec by Molmil](/molmil-images/mine/8eec) | Crystal structure of HPK1 citron-homology domain | Descriptor: | Isoform 2 of Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHATE ION | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2022-09-06 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | HPK1 Citron Homology Domain Serves as a Scaffold to Promote Phosphorylation of SLP76 To Be Published
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6DS5
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![BU of 6ds5 by Molmil](/molmil-images/mine/6ds5) | Cryo EM structure of human SEIPIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Seipin | Authors: | Yan, R.H, Qian, H.W, Yan, N, Yang, H.Y. | Deposit date: | 2018-06-13 | Release date: | 2018-10-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Human SEIPIN Binds Anionic Phospholipids. Dev. Cell, 47, 2018
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5U78
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![BU of 5u78 by Molmil](/molmil-images/mine/5u78) | Crystal structure of ORP8 PH domain in P1211 space group | Descriptor: | Oxysterol-binding protein-related protein 8 | Authors: | Ghai, R, Yang, H. | Deposit date: | 2016-12-12 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | ORP5 and ORP8 bind phosphatidylinositol-4, 5-biphosphate (PtdIns(4,5)P 2) and regulate its level at the plasma membrane. Nat Commun, 8, 2017
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5U77
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![BU of 5u77 by Molmil](/molmil-images/mine/5u77) | Crystal structure of ORP8 PH domain | Descriptor: | FORMIC ACID, N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium, Oxysterol-binding protein-related protein 8 | Authors: | Ghai, R, Yang, H. | Deposit date: | 2016-12-11 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.157 Å) | Cite: | ORP5 and ORP8 bind phosphatidylinositol-4, 5-biphosphate (PtdIns(4,5)P 2) and regulate its level at the plasma membrane. Nat Commun, 8, 2017
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7VAH
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![BU of 7vah by Molmil](/molmil-images/mine/7vah) | |
3F5P
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![BU of 3f5p by Molmil](/molmil-images/mine/3f5p) | Complex Structure of Insulin-like Growth Factor Receptor and 3-Cyanoquinoline Inhibitor | Descriptor: | 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile, Insulin-like growth factor 1 receptor | Authors: | Xu, W, Miller, L.M, Mayer, S.C, Berger, D.M, Boschelli, D.H, Boschelli, F. | Deposit date: | 2008-11-04 | Release date: | 2008-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment Bioorg.Med.Chem.Lett., 19, 2009
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3GRW
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![BU of 3grw by Molmil](/molmil-images/mine/3grw) | FGFR3 in complex with a Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | Authors: | Wiesmann, C. | Deposit date: | 2009-03-26 | Release date: | 2009-05-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antibody-based targeting of FGFR3 in bladder carcinoma and t(4;14)-positive multiple myeloma in mice. J.Clin.Invest., 119, 2009
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3IJJ
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![BU of 3ijj by Molmil](/molmil-images/mine/3ijj) | Ternary Complex of Macrophage Migration Inhibitory Factor (MIF) Bound Both to 4-hydroxyphenylpyruvate and to the Allosteric Inhibitor AV1013 (R-stereoisomer) | Descriptor: | (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid, (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ... | Authors: | Crichlow, G.V, Cho, Y, Lolis, E.J. | Deposit date: | 2009-08-04 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast. Proc.Natl.Acad.Sci.USA, 107, 2010
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3IJG
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![BU of 3ijg by Molmil](/molmil-images/mine/3ijg) | Macrophage Migration Inhibitory Factor (MIF) Bound to the (R)-Stereoisomer of AV1013 | Descriptor: | (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, CHLORIDE ION, Macrophage migration inhibitory factor | Authors: | Crichlow, G.V, Cho, Y, Lolis, E.J. | Deposit date: | 2009-08-04 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast. Proc.Natl.Acad.Sci.USA, 107, 2010
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