4JBH
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![BU of 4jbh by Molmil](/molmil-images/mine/4jbh) | 2.2A resolution structure of cobalt and zinc bound thermostable alcohol dehydrogenase from Pyrobaculum aerophilum | Descriptor: | Alcohol dehydrogenase (Zinc), CHLORIDE ION, COBALT (II) ION, ... | Authors: | Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S. | Deposit date: | 2013-02-19 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum. Plos One, 8, 2013
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2CM3
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![BU of 2cm3 by Molmil](/molmil-images/mine/2cm3) | Structure of Protein Tyrosine Phosphatase 1B (C2) | Descriptor: | CALCIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | Deposit date: | 2006-05-04 | Release date: | 2006-08-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics. J.Biol.Chem., 281, 2006
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3BAR
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![BU of 3bar by Molmil](/molmil-images/mine/3bar) | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-azido-UMP | Descriptor: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | Authors: | Liu, Y, Bello, A.M, Poduch, E, Lau, W, Kotra, L.P, Pai, E.F. | Deposit date: | 2007-11-08 | Release date: | 2008-01-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase. J.Med.Chem., 51, 2008
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4JD9
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![BU of 4jd9 by Molmil](/molmil-images/mine/4jd9) | Contact pathway inhibitor from a sand fly | Descriptor: | 14.5 kDa salivary protein, SULFATE ION | Authors: | Andersen, J.F, Xu, X, Alvarenga, P. | Deposit date: | 2013-02-24 | Release date: | 2013-10-16 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Novel family of insect salivary inhibitors blocks contact pathway activation by binding to polyphosphate, heparin, and dextran sulfate. Arterioscler Thromb Vasc Biol, 33, 2013
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7XU4
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![BU of 7xu4 by Molmil](/molmil-images/mine/7xu4) | Structure of SARS-CoV-2 D614G Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-2 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU5
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![BU of 7xu5 by Molmil](/molmil-images/mine/7xu5) | Structure of SARS-CoV-2 D614G Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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4PFO
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![BU of 4pfo by Molmil](/molmil-images/mine/4pfo) | Myosin VI motor domain in the Pi release state, space group P212121 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A. | Deposit date: | 2014-04-30 | Release date: | 2015-04-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | How actin initiates the motor activity of Myosin. Dev.Cell, 33, 2015
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4BTJ
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![BU of 4btj by Molmil](/molmil-images/mine/4btj) | TTBK1 in complex with ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ... | Authors: | Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N. | Deposit date: | 2013-06-18 | Release date: | 2013-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors. Chemmedchem, 8, 2013
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1V3C
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![BU of 1v3c by Molmil](/molmil-images/mine/1v3c) | Structure of the hemagglutinin-neuraminidase from human parainfluenza virus type III: complex with NEU5AC | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lawrence, M.C, Borg, N.A, Streltsov, V.A, Pilling, P.A, Epa, V.C, Varghese, J.N, McKimm-Breschkin, J.L, Colman, P.M. | Deposit date: | 2003-10-30 | Release date: | 2004-02-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Haemagglutinin-neuraminidase from Human Parainfluenza Virus Type III J.Mol.Biol., 335, 2004
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7XU3
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![BU of 7xu3 by Molmil](/molmil-images/mine/7xu3) | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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7XU6
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![BU of 7xu6 by Molmil](/molmil-images/mine/7xu6) | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), incubated in Low pH after 40-Day Storage in PBS, Locked-2 Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | Deposit date: | 2022-05-18 | Release date: | 2022-07-20 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike. Plos Pathog., 18, 2022
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4PNM
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![BU of 4pnm by Molmil](/molmil-images/mine/4pnm) | Crystal Structure of human Tankyrase 2 in complex with Nu1025. | Descriptor: | 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-23 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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2CNH
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![BU of 2cnh by Molmil](/molmil-images/mine/2cnh) | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | Descriptor: | CALCIUM ION, N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | Deposit date: | 2006-05-21 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B. J.Biol.Chem., 281, 2006
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3OSA
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![BU of 3osa by Molmil](/molmil-images/mine/3osa) | Estrogen Receptor | Descriptor: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor | Authors: | Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2010-09-08 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
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4BSB
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![BU of 4bsb by Molmil](/molmil-images/mine/4bsb) | Human H7N9 Influenza Virus Haemagglutinin (with Asn-133 Glycosylation) in Complex with Human Receptor Analogue LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ... | Authors: | Xiong, X, Haire, L.F, Martin, S.R, Wharton, S.A, Daniels, R.S, Bennett, M.S, McCauley, J.W, Collins, P.J, Walker, P.A, Skehel, J.J, Gamblin, S.J. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Receptor Binding by an H7N9 Influenza Virus from Humans Nature, 499, 2013
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1GKB
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![BU of 1gkb by Molmil](/molmil-images/mine/1gkb) | CONCANAVALIN A, NEW CRYSTAL FORM | Descriptor: | CALCIUM ION, CONCANAVALIN A, MAGNESIUM ION, ... | Authors: | Kantardjieff, K, Rupp, B, Hoechtl, P, Segelke, B. | Deposit date: | 2001-08-10 | Release date: | 2001-08-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Concanavalin a in a Dimeric Crystal Form: Revisiting Structural Accuracy and Molecular Flexibility Acta Crystallogr.,Sect.D, 58, 2002
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6K0K
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![BU of 6k0k by Molmil](/molmil-images/mine/6k0k) | |
6GR7
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![BU of 6gr7 by Molmil](/molmil-images/mine/6gr7) | Crystal Structure Of Human Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T) | Descriptor: | 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-06-09 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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4PNQ
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![BU of 4pnq by Molmil](/molmil-images/mine/4pnq) | Crystal Structure of human Tankyrase 2 in complex with 5AIQ. | Descriptor: | 5-aminoisoquinolin-1(4H)-one, ISOPROPYL ALCOHOL, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-24 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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7Y6U
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![BU of 7y6u by Molmil](/molmil-images/mine/7y6u) | Symmetry-expanded and locally refined protomer structure of IPEC-J2 cell-derived PEDV PT52 S with a CTD-close conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Hsu, S.T.D, Draczkowski, P, Wang, Y.S. | Deposit date: | 2022-06-21 | Release date: | 2022-08-03 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | In situ structure and dynamics of an alphacoronavirus spike protein by cryo-ET and cryo-EM. Nat Commun, 13, 2022
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5H0Q
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![BU of 5h0q by Molmil](/molmil-images/mine/5h0q) | Crystal structure of lipid binding protein Nakanori at 1.5A | Descriptor: | Lipid binding protein | Authors: | Makino, A, Abe, M, Ishitsuka, R, Murate, M, Kishimoto, T, Sakai, S, Hullin-Matsuda, F, Shimada, Y, Inaba, T, Miyatake, H, Tanaka, H, Kurahashi, A, Pack, C.G, Kasai, R.S, Kubo, S, Schieber, N.L, Dohmae, N, Tochio, N, Hagiwara, K, Sasaki, Y, Aida, Y, Fujimori, F, Kigawa, T, Nishikori, K, Parton, R.G, Kusumi, A, Sako, Y, Anderluh, G, Yamashita, M, Kobayashi, T, Greimel, P, Kobayashi, T. | Deposit date: | 2016-10-06 | Release date: | 2016-10-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | A novel sphingomyelin/cholesterol domain-specific probe reveals the dynamics of the membrane domains during virus release and in Niemann-Pick type C FASEB J., 31, 2017
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7YDG
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![BU of 7ydg by Molmil](/molmil-images/mine/7ydg) | Crystal structure of human SARS2 catalytic domain with a disease related mutation | Descriptor: | Serine--tRNA ligase, mitochondrial | Authors: | Wu, S, Li, P, Zhou, X.L, Fang, P. | Deposit date: | 2022-07-04 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease. Nucleic Acids Res., 50, 2022
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7Y6V
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![BU of 7y6v by Molmil](/molmil-images/mine/7y6v) | Symmetry-expanded and locally refined protomer structure of IPEC-J2 cell-derived PEDV PT52 S with a CTD-open conformation | 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: | Hsu, S.T.D, Draczkowski, P, Wang, Y.S. | Deposit date: | 2022-06-21 | Release date: | 2022-08-03 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | In situ structure and dynamics of an alphacoronavirus spike protein by cryo-ET and cryo-EM. Nat Commun, 13, 2022
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6GUB
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![BU of 6gub by Molmil](/molmil-images/mine/6gub) | CDK2/CyclinA in complex with Flavopiridol | Descriptor: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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7YDF
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![BU of 7ydf by Molmil](/molmil-images/mine/7ydf) | Crystal structure of human SARS2 catalytic domain | Descriptor: | Serine--tRNA ligase, mitochondrial | Authors: | Wu, S, Li, P, Zhou, X.L, Fang, P. | Deposit date: | 2022-07-04 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease. Nucleic Acids Res., 50, 2022
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