6QHZ
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![BU of 6qhz by Molmil](/molmil-images/mine/6qhz) | Time resolved structural analysis of the full turnover of an enzyme - 6788 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6ZLM
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![BU of 6zlm by Molmil](/molmil-images/mine/6zlm) | Dihydrolipoyllysine-residue acetyltransferase component of fungal pyruvate dehydrogenase complex with protein X bound | Descriptor: | Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, Pyruvate dehydrogenase X component | Authors: | Forsberg, B.O, Aibara, S, Howard, R.J, Mortezaei, N, Lindahl, E. | Deposit date: | 2020-06-30 | Release date: | 2020-09-23 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Arrangement and symmetry of the fungal E3BP-containing core of the pyruvate dehydrogenase complex. Nat Commun, 11, 2020
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4F80
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![BU of 4f80 by Molmil](/molmil-images/mine/4f80) | Crystal Structure of the human BTN3A1 ectodomain | Descriptor: | Butyrophilin subfamily 3 member A1 | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | Deposit date: | 2012-05-16 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies J.Biol.Chem., 287, 2012
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7LKO
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7LKN
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7LKM
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2XPE
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![BU of 2xpe by Molmil](/molmil-images/mine/2xpe) | Oxidised Thiol peroxidase (Tpx) from Yersinia pseudotuberculosis | Descriptor: | THIOL PEROXIDASE | Authors: | Gabrielsen, M, Zetterstrom, C.E, Wang, D, Elofsson, M, Roe, A.J. | Deposit date: | 2010-08-26 | Release date: | 2011-08-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Characterisation of Tpx from Yersinia Pseudotuberculosis Reveals Insights Into the Binding of Salicylidene Acylhydrazide Compounds. Plos One, 7, 2012
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4F1Q
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![BU of 4f1q by Molmil](/molmil-images/mine/4f1q) | Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E) | Descriptor: | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | Deposit date: | 2012-05-07 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening. J.Med.Chem., 55, 2012
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1M70
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2XD7
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![BU of 2xd7 by Molmil](/molmil-images/mine/2xd7) | Crystal structure of the macro domain of human core histone H2A | Descriptor: | CORE HISTONE MACRO-H2A.2 | Authors: | Vollmar, M, Phillips, C, Carpenter, E.P, Muniz, J.R.C, Krojer, T, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O. | Deposit date: | 2010-04-29 | Release date: | 2010-05-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of the Macro Domain of Human Core Histone H2A To be Published
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1MJM
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2XFQ
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![BU of 2xfq by Molmil](/molmil-images/mine/2xfq) | Rasagiline-inhibited human monoamine oxidase B in complex with 2-(2- benzofuranyl)-2-imidazoline | Descriptor: | (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine, 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, Amine oxidase [flavin-containing] B, ... | Authors: | Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A. | Deposit date: | 2010-05-26 | Release date: | 2010-10-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J. Biol. Chem., 285, 2010
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1M0D
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![BU of 1m0d by Molmil](/molmil-images/mine/1m0d) | Crystal Structure of Bacteriophage T7 Endonuclease I with a Wild-Type Active Site and Bound Manganese Ions | Descriptor: | Endodeoxyribonuclease I, MANGANESE (II) ION, SULFATE ION | Authors: | Hadden, J.M, Declais, A.C, Phillips, S.E, Lilley, D.M. | Deposit date: | 2002-06-12 | Release date: | 2002-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Metal ions bound at the active site of the junction-resolving enzyme T7 endonuclease I. EMBO J., 21, 2002
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5CXW
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![BU of 5cxw by Molmil](/molmil-images/mine/5cxw) | Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V | Descriptor: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2015-07-29 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance. Febs J., 283, 2016
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2XFN
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![BU of 2xfn by Molmil](/molmil-images/mine/2xfn) | Human monoamine oxidase B in complex with 2-(2-benzofuranyl)-2- imidazoline | Descriptor: | 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A. | Deposit date: | 2010-05-26 | Release date: | 2010-10-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J. Biol. Chem., 285, 2010
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4O2B
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![BU of 4o2b by Molmil](/molmil-images/mine/4o2b) | Tubulin-Colchicine complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O. | Deposit date: | 2013-12-17 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization. J.Mol.Biol., 426, 2014
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5DCU
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![BU of 5dcu by Molmil](/molmil-images/mine/5dcu) | Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and triethylene glycol carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2015-08-24 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis. Nat.Chem.Biol., 12, 2016
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7LEW
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![BU of 7lew by Molmil](/molmil-images/mine/7lew) | Crystal structure of UBE2G2 in complex with the UBE2G2-binding region of AUP1 | Descriptor: | Lipid droplet-regulating VLDL assembly factor AUP1, Ubiquitin-conjugating enzyme E2 G2 | Authors: | Liang, Y.-H, Smith, C.E, Tsai, Y.C, Weissman, A.M, Ji, X. | Deposit date: | 2021-01-15 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.736 Å) | Cite: | A structurally conserved site in AUP1 binds the E2 enzyme UBE2G2 and is essential for ER-associated degradation. Plos Biol., 19, 2021
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6Z8X
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![BU of 6z8x by Molmil](/molmil-images/mine/6z8x) | X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3Leu), which contains leucyl amide in the side chain of Thy3 at N3. | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ... | Authors: | Troisi, R, Timofeev, E.N, Sica, F. | Deposit date: | 2020-06-02 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12. Mol Ther Nucleic Acids, 23, 2021
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2G1O
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2G26
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![BU of 2g26 by Molmil](/molmil-images/mine/2g26) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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4OIP
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![BU of 4oip by Molmil](/molmil-images/mine/4oip) | Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077, ATP, and CMPcPP | Descriptor: | (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ... | Authors: | Zhang, Y, Ebright, R.H, Arnold, E. | Deposit date: | 2014-01-20 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides. Elife, 3, 2014
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3UNE
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![BU of 3une by Molmil](/molmil-images/mine/3une) | Mouse constitutive 20S proteasome | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. | Deposit date: | 2011-11-15 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity. Cell(Cambridge,Mass.), 148, 2012
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1MJO
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2FS4
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![BU of 2fs4 by Molmil](/molmil-images/mine/2fs4) | Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring | Descriptor: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | Authors: | Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S. | Deposit date: | 2006-01-20 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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