1W9K
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![BU of 1w9k by Molmil](/molmil-images/mine/1w9k) | Dictyostelium discoideum Myosin II motor domain S456E with bound MgADP-BeFx | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Morris, C.A, Coureux, P.-D, Wells, A.L, Houdusse, A, Sweeney, H.L. | Deposit date: | 2004-10-13 | Release date: | 2006-03-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Function Analysis of Myosin II Backdoor Mutants To be Published
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7P77
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![BU of 7p77 by Molmil](/molmil-images/mine/7p77) | SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 3up 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | Deposit date: | 2021-07-19 | Release date: | 2021-08-04 | Last modified: | 2022-04-20 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance. Embo Rep., 23, 2022
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5IY2
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![BU of 5iy2 by Molmil](/molmil-images/mine/5iy2) | Structure of apo OXA-143 carbapenemase | Descriptor: | Beta-lactamase OXA-143, GLYCEROL | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2016-03-23 | Release date: | 2017-08-09 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | The role of conserved surface hydrophobic residues in the carbapenemase activity of the class D beta-lactamases. Acta Crystallogr D Struct Biol, 73, 2017
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7P78
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![BU of 7p78 by Molmil](/molmil-images/mine/7p78) | SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 1up/1up-out/1down 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | Deposit date: | 2021-07-19 | Release date: | 2021-08-04 | Last modified: | 2022-04-20 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance. Embo Rep., 23, 2022
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7P79
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![BU of 7p79 by Molmil](/molmil-images/mine/7p79) | SARS-CoV-2 spike protein in complex with sybodyb#15 in a 1up/1up-out/1down 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | Deposit date: | 2021-07-19 | Release date: | 2021-08-04 | Last modified: | 2022-04-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance. Embo Rep., 23, 2022
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3SA8
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![BU of 3sa8 by Molmil](/molmil-images/mine/3sa8) | Crystal structure of wild-type HIV-1 protease in complex with KB83 | Descriptor: | 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide, ACETATE ION, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2011-06-02 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance To be Published
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1W9J
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![BU of 1w9j by Molmil](/molmil-images/mine/1w9j) | Myosin II Dictyostelium discoideum motor domain S456Y bound with MgADP-AlF4 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Morris, C.A, Coureux, P.-D, Wells, A.L, Houdusse, A, Sweeney, H.L. | Deposit date: | 2004-10-13 | Release date: | 2006-03-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Function Analysis of Myosin II Backdoor Mutants To be Published
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7P7B
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![BU of 7p7b by Molmil](/molmil-images/mine/7p7b) | SARS-CoV-2 spike protein in complex with sybody no68 in a 1up/2down conformation | Descriptor: | Spike glycoprotein | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | Deposit date: | 2021-07-19 | Release date: | 2021-08-04 | Last modified: | 2022-04-20 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance. Embo Rep., 23, 2022
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6V7D
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![BU of 6v7d by Molmil](/molmil-images/mine/6v7d) | Human Arginase1 Complexed with Bicyclic Inhibitor Compound 10 | Descriptor: | Arginase-1, MANGANESE (II) ION, {3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-) | Authors: | Palte, R.L, Lesburg, C.A. | Deposit date: | 2019-12-08 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. Acs Med.Chem.Lett., 11, 2020
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1W9L
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![BU of 1w9l by Molmil](/molmil-images/mine/1w9l) | Myosin II Dictyostelium discoideum motor domain S456E bound with MgADP-AlF4 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Morris, C.A, Coureux, P.-D, Wells, A.L, Houdusse, A, Sweeney, H.L. | Deposit date: | 2004-10-13 | Release date: | 2006-03-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Function Analysis of Myosin II Backdoor Mutants To be Published
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5J7N
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![BU of 5j7n by Molmil](/molmil-images/mine/5j7n) | Crystal structure of a small heat-shock protein from Xylella fastidiosa reveals a distinct high order structure | Descriptor: | Low molecular weight heat shock protein | Authors: | Fonseca, E.M.B, Scorsato, V, dos Santos, C.A, Tomazini Jr, A, Aparicio, R, Polikarpov, I. | Deposit date: | 2016-04-06 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of a small heat-shock protein from Xylella fastidiosa reveals a distinct high-order structure. Acta Crystallogr F Struct Biol Commun, 73, 2017
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6VDM
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![BU of 6vdm by Molmil](/molmil-images/mine/6vdm) | HCV NS3/4A protease A156T, D168E double mutant in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, GLYCEROL, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | RAS at position 156 of HCV NS3/4A protease abolish inhibition by current HCV drugs To Be Published
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1ZGI
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![BU of 1zgi by Molmil](/molmil-images/mine/1zgi) | thrombin in complex with an oxazolopyridine inhibitor 21 | Descriptor: | (R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE, Hirudin, Thrombin | Authors: | Deng, J.Z, McMasters, D.R, Rabbat, P.M, Williams, P.D, Coburn, C.A, Yan, Y, Kuo, L.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Strulovici, B, Vacca, J.P, Lyle, T.A, Burgey, C.S. | Deposit date: | 2005-04-21 | Release date: | 2005-09-27 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization. Bioorg.Med.Chem.Lett., 15, 2005
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6V7T
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![BU of 6v7t by Molmil](/molmil-images/mine/6v7t) | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-09 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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3LZS
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![BU of 3lzs by Molmil](/molmil-images/mine/3lzs) | Crystal Structure of HIV-1 CRF01_AE Protease in Complex with Darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 protease | Authors: | Schiffer, C.A, Bandaranayake, R.M. | Deposit date: | 2010-03-01 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways. J.Virol., 84, 2010
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3M18
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![BU of 3m18 by Molmil](/molmil-images/mine/3m18) | |
3REK
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![BU of 3rek by Molmil](/molmil-images/mine/3rek) | |
1Z84
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![BU of 1z84 by Molmil](/molmil-images/mine/1z84) | X-ray structure of galt-like protein from arabidopsis thaliana at5g18200 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ZINC ION, ... | Authors: | Mccoy, J.G, Bitto, E, Phillips Jr, G.N, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-03-29 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure and Mechanism of an ADP-Glucose Phosphorylase from
Arabidopsis thaliana Biochemistry, 45, 2006
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3R4B
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![BU of 3r4b by Molmil](/molmil-images/mine/3r4b) | Crystal Structure of Wild-type HIV-1 Protease in Complex With TMC310911 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate, HIV-1 protease, PHOSPHATE ION | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2011-03-17 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | TMC310911, a Novel Human Immunodeficiency Virus Type 1 Protease Inhibitor, Shows In Vitro an Improved Resistance Profile and Higher Genetic Barrier to Resistance Compared with Current Protease Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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6VDO
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![BU of 6vdo by Molmil](/molmil-images/mine/6vdo) | |
3M5R
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![BU of 3m5r by Molmil](/molmil-images/mine/3m5r) | |
3M7U
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![BU of 3m7u by Molmil](/molmil-images/mine/3m7u) | |
5JCO
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![BU of 5jco by Molmil](/molmil-images/mine/5jco) | Structure and dynamics of single-isoform recombinant neuronal human tubulin | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Vemu, A, Atherton, J, Spector, J.O, Szyk, A, Moores, C.A, Roll-Mecak, A. | Deposit date: | 2016-04-15 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure and Dynamics of Single-isoform Recombinant Neuronal Human Tubulin. J.Biol.Chem., 291, 2016
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3MGS
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![BU of 3mgs by Molmil](/molmil-images/mine/3mgs) | |
1Z7X
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![BU of 1z7x by Molmil](/molmil-images/mine/1z7x) | X-ray structure of human ribonuclease inhibitor complexed with ribonuclease I | Descriptor: | CITRIC ACID, Ribonuclease I, Ribonuclease inhibitor | Authors: | McCoy, J.G, Johnson, R.J, Raines, R.T, Bitto, E, Bingman, C.A, Wesenberg, G.E, Allard, S.T.M, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-03-28 | Release date: | 2005-06-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Inhibition of human pancreatic ribonuclease by the human ribonuclease inhibitor protein. J.Mol.Biol., 368, 2007
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