6ELP
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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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6LDH
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6EY9
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![BU of 6ey9 by Molmil](/molmil-images/mine/6ey9) | |
5FZQ
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![BU of 5fzq by Molmil](/molmil-images/mine/5fzq) | Designed TPR Protein M4N | Descriptor: | DESIGNED TPR PROTEIN, SULFATE ION | Authors: | Albrecht, R, Zhu, H, Hartmann, M.D. | Deposit date: | 2016-03-15 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | Origin of a folded repeat protein from an intrinsically disordered ancestor. Elife, 5, 2016
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4I8A
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![BU of 4i8a by Molmil](/molmil-images/mine/4i8a) | Alanine-glyoxylate aminotransferase variant S187F | Descriptor: | GLYCEROL, Serine-pyruvate aminotransferase | Authors: | Fodor, K, Oppici, E, Williams, C, Cellini, B, Wilmanns, M. | Deposit date: | 2012-12-03 | Release date: | 2013-05-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the S187F variant of human liver alanine: Aminotransferase associated with primary hyperoxaluria type I and its functional implications. Proteins, 81, 2013
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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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4DPV
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![BU of 4dpv by Molmil](/molmil-images/mine/4dpv) | PARVOVIRUS/DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'), MAGNESIUM ION, PROTEIN (PARVOVIRUS COAT PROTEIN) | Authors: | Chapman, M.S, Rossmann, M.G. | Deposit date: | 1996-02-01 | Release date: | 1997-04-01 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Canine parvovirus capsid structure, analyzed at 2.9 A resolution. J.Mol.Biol., 264, 1996
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6EYA
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![BU of 6eya by Molmil](/molmil-images/mine/6eya) | |
6EYB
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2W5Q
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![BU of 2w5q by Molmil](/molmil-images/mine/2w5q) | Structure-based mechanism of lipoteichoic acid synthesis by Staphylococcus aureus LtaS. | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, PROCESSED GLYCEROL PHOSPHATE LIPOTEICHOIC ACID SYNTHASE | Authors: | Lu, D, Wormann, M.E, Zhang, X, Scheewind, O, Grundling, A, Freemont, P.S. | Deposit date: | 2008-12-11 | Release date: | 2009-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-Based Mechanism of Lipoteichoic Acid Synthesis by Staphylococcus Aureus Ltas. Proc.Natl.Acad.Sci.USA, 106, 2009
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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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8A40
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![BU of 8a40 by Molmil](/molmil-images/mine/8a40) | Structure of mammalian Pol II-TFIIS elongation complex | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Farnung, L, Ochmann, M, Garg, G, Vos, S.M, Cramer, P. | Deposit date: | 2022-06-09 | Release date: | 2023-08-23 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of a backtracked hexasomal intermediate of nucleosome transcription. Mol.Cell, 82, 2022
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8AOQ
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![BU of 8aoq by Molmil](/molmil-images/mine/8aoq) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20a | Descriptor: | (3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION | Authors: | Maiwald, S, Heim, C, Hartmann, M.D. | Deposit date: | 2022-08-08 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.088 Å) | Cite: | Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines. Eur.J.Med.Chem., 246, 2023
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8AOP
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![BU of 8aop by Molmil](/molmil-images/mine/8aop) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 14r | Descriptor: | (3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Maiwald, S, Heim, C, Hartmann, M.D. | Deposit date: | 2022-08-08 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines. Eur.J.Med.Chem., 246, 2023
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8AFF
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2VKN
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![BU of 2vkn by Molmil](/molmil-images/mine/2vkn) | YEAST SHO1 SH3 DOMAIN COMPLEXED WITH A PEPTIDE FROM PBS2 | Descriptor: | MAP KINASE KINASE PBS2, PROTEIN SSU81, SULFATE ION | Authors: | Kursula, P, Kursula, I, Song, Y.H, Paraskevopoulos, K, Wilmanns, M. | Deposit date: | 2007-12-20 | Release date: | 2008-02-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Genomics of Yeast SH3 Domains To be Published
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8B2W
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![BU of 8b2w by Molmil](/molmil-images/mine/8b2w) | Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A, Ampicillin, 500 MS | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | Deposit date: | 2022-09-14 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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8B2O
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![BU of 8b2o by Molmil](/molmil-images/mine/8b2o) | Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A, Ampicillin, 5 sec | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | Deposit date: | 2022-09-14 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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8B2V
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![BU of 8b2v by Molmil](/molmil-images/mine/8b2v) | Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A Ampicillin, 1 sec | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | Deposit date: | 2022-09-14 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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8RBX
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![BU of 8rbx by Molmil](/molmil-images/mine/8rbx) | Structure of Integrator-PP2A bound to a paused RNA polymerase II-DSIF-NELF-nucleosome complex | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Fianu, I, Ochmann, M, Walshe, J.L, Cramer, P. | Deposit date: | 2023-12-05 | Release date: | 2024-02-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis of Integrator-dependent RNA polymerase II termination. Nature, 629, 2024
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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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8A3Y
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![BU of 8a3y by Molmil](/molmil-images/mine/8a3y) | Structure of mammalian Pol II-DSIF-SPT6-PAF1-TFIIS-hexasome elongation complex | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Farnung, L, Ochmann, M, Garg, G, Vos, S.M, Cramer, P. | Deposit date: | 2022-06-09 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of a backtracked hexasomal intermediate of nucleosome transcription. Mol.Cell, 82, 2022
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3ZXT
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2W5S
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![BU of 2w5s by Molmil](/molmil-images/mine/2w5s) | Structure-based mechanism of lipoteichoic acid synthesis by Staphylococcus aureus LtaS. | Descriptor: | (2R)-2,3-dihydroxypropyl phosphate, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Lu, D, Wormann, M.E, Zhang, X, Schneewind, O, Grundling, A, Freemont, P.S. | Deposit date: | 2008-12-11 | Release date: | 2009-02-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Mechanism of Lipoteichoic Acid Synthesis by Staphylococcus Aureus Ltas. Proc.Natl.Acad.Sci.USA, 106, 2009
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