1IO5
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![BU of 1io5 by Molmil](/molmil-images/mine/1io5) | HYDROGEN AND HYDRATION OF HEN EGG-WHITE LYSOZYME DETERMINED BY NEUTRON DIFFRACTION | Descriptor: | LYSOZYME C | Authors: | Niimura, N, Minezaki, Y, Nonaka, T, Castagna, J.C, Cipriani, F, Hoeghoej, P, Lehmann, M.S, Wilkinson, C. | Deposit date: | 2001-01-14 | Release date: | 2001-02-07 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2 Å) | Cite: | Neutron Laue diffractometry with an imaging plate provides an effective data collection regime for neutron protein crystallography. Nat.Struct.Biol., 4, 1997
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2CHC
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2X80
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![BU of 2x80 by Molmil](/molmil-images/mine/2x80) | P450 BM3 F87A in complex with DMSO | Descriptor: | BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Kuper, J, Wong, T.S, Roccatano, D, Wilmanns, M, Schwaneberg, U. | Deposit date: | 2010-03-05 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Role of Active-Site Phe87 in Modulating the Organic Co-Solvent Tolerance of Cytochrome P450 Bm3 Monooxygenase. Acta Crystallogr.,Sect.F, 68, 2012
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1DV4
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![BU of 1dv4 by Molmil](/molmil-images/mine/1dv4) | PARTIAL STRUCTURE OF 16S RNA OF THE SMALL RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS | Descriptor: | 16S RIBOSOMAL RNA, OCTADECATUNGSTENYL DIPHOSPHATE, RIBOSOMAL PROTEIN S5, ... | Authors: | Tocilj, A, Schlunzen, F, Janell, D, Gluhmann, M, Hansen, H, Harms, J, Bashan, A, Bartels, H, Agmon, I, Franceschi, F, Yonath, A. | Deposit date: | 2000-01-19 | Release date: | 2000-02-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | The small ribosomal subunit from Thermus thermophilus at 4.5 A resolution: pattern fittings and the identification of a functional site. Proc.Natl.Acad.Sci.USA, 96, 1999
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1SEH
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![BU of 1seh by Molmil](/molmil-images/mine/1seh) | Crystal structure of E. coli dUTPase complexed with the product dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase | Authors: | Barabas, O, Kovari, J, Pongracz, V, Wilmanns, M, Vertessy, B.G. | Deposit date: | 2004-02-17 | Release date: | 2004-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase J.Biol.Chem., 279, 2004
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1E3O
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![BU of 1e3o by Molmil](/molmil-images/mine/1e3o) | Crystal structure of Oct-1 POU dimer bound to MORE | Descriptor: | 5'-D(*AP*TP*GP*CP*AP*TP*GP*AP*GP*GP*A)-3', 5'-D(*TP*CP*CP*TP*CP*AP*TP*GP*CP*AP*T)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1 | Authors: | Remenyi, A, Tomilin, A, Pohl, E, Schoeler, H, Wilmanns, M. | Deposit date: | 2000-06-20 | Release date: | 2001-11-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping Mol.Cell, 8, 2001
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5DT3
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![BU of 5dt3 by Molmil](/molmil-images/mine/5dt3) | Aurora A Kinase in Complex with ATP in Space Group P6122 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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6EI5
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5DOS
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![BU of 5dos by Molmil](/molmil-images/mine/5dos) | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-11 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DRD
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![BU of 5drd by Molmil](/molmil-images/mine/5drd) | Aurora A Kinase in Complex with ATP in Space Group P6122 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-15 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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6EII
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![BU of 6eii by Molmil](/molmil-images/mine/6eii) | The crystal structure of CK2alpha in complex with compound 18 | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-09-19 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.935 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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6EQC
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![BU of 6eqc by Molmil](/molmil-images/mine/6eqc) | Cryo-EM reconstruction of a complex of a binding protein and human adenovirus C5 hexon | Descriptor: | Hexon protein, scFv of 9C12 antibody | Authors: | Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A. | Deposit date: | 2017-10-12 | Release date: | 2018-02-07 | Last modified: | 2018-02-14 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control. Nat Commun, 9, 2018
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6ELN
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![BU of 6eln by Molmil](/molmil-images/mine/6eln) | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | Descriptor: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha, SULFATE ION | Authors: | Musil, D, Lehmann, M, Eggenweiler, H.-M. | Deposit date: | 2017-09-29 | Release date: | 2018-05-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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6ELO
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6EY9
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6EY8
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![BU of 6ey8 by Molmil](/molmil-images/mine/6ey8) | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | Descriptor: | DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, SULFATE ION, ... | Authors: | Musil, D, Lehmann, M, Buchstaller, H.-P. | Deposit date: | 2017-11-11 | Release date: | 2018-05-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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6EYA
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6EYB
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6F1N
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![BU of 6f1n by Molmil](/molmil-images/mine/6f1n) | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | Descriptor: | 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid, Heat shock protein HSP 90-alpha, SULFATE ION | Authors: | Musil, D, Lehmann, M, Eggenweiler, H.-M. | Deposit date: | 2017-11-22 | Release date: | 2018-05-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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5J7V
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![BU of 5j7v by Molmil](/molmil-images/mine/5j7v) | Faustovirus major capsid protein | Descriptor: | major capsid protein | Authors: | Klose, T, Rossmann, M.G. | Deposit date: | 2016-04-06 | Release date: | 2016-05-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (15.5 Å) | Cite: | Structure of faustovirus, a large dsDNA virus. Proc.Natl.Acad.Sci.USA, 113, 2016
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6FCJ
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6FKG
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![BU of 6fkg by Molmil](/molmil-images/mine/6fkg) | Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex. | Descriptor: | GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA) | Authors: | Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A. | Deposit date: | 2018-01-24 | Release date: | 2019-02-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death. Mol.Cell, 73, 2019
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8BX1
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8BX2
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8BL9
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