2BMC
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![BU of 2bmc by Molmil](/molmil-images/mine/2bmc) | Aurora-2 T287D T288D complexed with PHA-680632 | Descriptor: | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6 | Authors: | Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P. | Deposit date: | 2005-03-11 | Release date: | 2005-03-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition. J.Med.Chem., 48, 2005
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5HBE
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![BU of 5hbe by Molmil](/molmil-images/mine/5hbe) | CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one | Descriptor: | 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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5DLV
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![BU of 5dlv by Molmil](/molmil-images/mine/5dlv) | Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) | Descriptor: | 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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2KA3
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![BU of 2ka3 by Molmil](/molmil-images/mine/2ka3) | Structure of EMILIN-1 C1Q-like domain | Descriptor: | EMILIN-1 | Authors: | Verdone, G, Corazza, A, Colebrooke, S.A, Cicero, D.O, Eliseo, T, Boyd, J, Doliana, R, Fogolari, F, Viglino, P, Colombatti, A, Campbell, I.D, Esposito, G. | Deposit date: | 2008-10-30 | Release date: | 2008-11-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR-based homology model for the solution structure of the C-terminal globular domain of EMILIN1 J.Biomol.Nmr, 43, 2009
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6RWL
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![BU of 6rwl by Molmil](/molmil-images/mine/6rwl) | SIVrcm intasome | Descriptor: | DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*AP*AP*GP*AP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*CP*CP*A)-3'), Pol protein, ... | Authors: | Cherepanov, P, Nans, A, Cook, N. | Deposit date: | 2019-06-05 | Release date: | 2020-02-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Structural basis of second-generation HIV integrase inhibitor action and viral resistance. Science, 367, 2020
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1V6I
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![BU of 1v6i by Molmil](/molmil-images/mine/1v6i) | Peanut lectin-lactose complex in acidic pH | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-12-01 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
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5DND
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![BU of 5dnd by Molmil](/molmil-images/mine/5dnd) | |
7BJY
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![BU of 7bjy by Molmil](/molmil-images/mine/7bjy) | Crystal structure of the first bromodomain (BD1) of human BRDT bound to Ro3280 | Descriptor: | 1,2-ETHANEDIOL, 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Isoform 2 of Bromodomain testis-specific protein | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2021-01-14 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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1GQS
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![BU of 1gqs by Molmil](/molmil-images/mine/1gqs) | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH NAP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE | Authors: | Bar-on, P, Millard, C.B, Harel, M, Dvir, H, Enz, A, Sussman, J.L, Silman, I. | Deposit date: | 2001-12-04 | Release date: | 2002-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine Biochemistry, 41, 2002
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4GRX
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![BU of 4grx by Molmil](/molmil-images/mine/4grx) | Structure of an omega-aminotransferase from Paracoccus denitrificans | Descriptor: | Aminotransferase, DELTA-AMINO VALERIC ACID, SODIUM ION | Authors: | Rausch, C, Lerchner, A, Schiefner, A, Skerra, A. | Deposit date: | 2012-08-27 | Release date: | 2012-12-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the omega-aminotransferase from Paracoccus denitrificans and its phylogenetic relationship with other class III aminotransferases that have biotechnological potential. Proteins, 81, 2013
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3HU7
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![BU of 3hu7 by Molmil](/molmil-images/mine/3hu7) | Structural characterization and binding studies of a plant pathogenesis related protein heamanthin from haemanthus multiflorus reveal its dual inhibitory effects against xylanase and alpha-amylase | Descriptor: | ACETATE ION, Haementhin, PHOSPHATE ION | Authors: | Kumar, S, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2009-06-13 | Release date: | 2010-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure determination and inhibition studies of a novel xylanase and alpha-amylase inhibitor protein (XAIP) from Scadoxus multiflorus. Febs J., 277, 2010
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3RNJ
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![BU of 3rnj by Molmil](/molmil-images/mine/3rnj) | Crystal structure of the SH3 domain from IRSp53 (BAIAP2) | Descriptor: | 1,2-ETHANEDIOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, ISOPROPYL ALCOHOL, ... | Authors: | Simister, P.C, Barilari, M, Muniz, J.R.C, Dente, L, Knapp, S, von Delft, F, Filippakopoulos, P, Vollmar, M, Chaikuad, A, Raynor, J, Tregubova, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC) | Deposit date: | 2011-04-22 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the SH3 domain from IRSp53 (BAIAP2) To be Published
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3UK6
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![BU of 3uk6 by Molmil](/molmil-images/mine/3uk6) | Crystal Structure of the Tip48 (Tip49b) hexamer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RuvB-like 2 | Authors: | Petukhov, M, Dagkessamanskaja, A, Bommer, M, Barrett, T, Tsaneva, I, Yakimov, A, Queval, R, Shvetsov, A, Khodorkovskiy, M, Kas, E, Grigoriev, M. | Deposit date: | 2011-11-09 | Release date: | 2012-07-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Large-Scale Conformational Flexibility Determines the Properties of AAA+ TIP49 ATPases. Structure, 20, 2012
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5E5E
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![BU of 5e5e by Molmil](/molmil-images/mine/5e5e) | |
1Y8A
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![BU of 1y8a by Molmil](/molmil-images/mine/1y8a) | Structure of gene product AF1437 from Archaeoglobus fulgidus | Descriptor: | MAGNESIUM ION, hypothetical protein AF1437 | Authors: | Cuff, M.E, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-12-10 | Release date: | 2005-01-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of gene product AF1437 from Archaeoglobus fulgidus To be published
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6W4S
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![BU of 6w4s by Molmil](/molmil-images/mine/6w4s) | Structure of apo human ferroportin in lipid nanodisc | Descriptor: | Fab45D8 Heavy Chain, Fab45D8 Light Chain, Solute carrier family 40 member 1 | Authors: | Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A. | Deposit date: | 2020-03-11 | Release date: | 2020-09-09 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms. Nature, 586, 2020
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6W6Y
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![BU of 6w6y by Molmil](/molmil-images/mine/6w6y) | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Non-structural protein 3 | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-18 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020
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1H5L
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![BU of 1h5l by Molmil](/molmil-images/mine/1h5l) | X-ray induced reduction of horseradish peroxidase C1A Compound III (89-100% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-06-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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3G9E
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![BU of 3g9e by Molmil](/molmil-images/mine/3g9e) | Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes | Descriptor: | (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Ruf, A, Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puenterner, K, Raab, S, Schlatter, D, Gsell, B, Stihle, M, Mohr, P. | Deposit date: | 2009-02-13 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes. Bioorg.Med.Chem.Lett., 19, 2009
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2PN0
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![BU of 2pn0 by Molmil](/molmil-images/mine/2pn0) | Prokaryotic transcription elongation factor GreA/GreB from Nitrosomonas europaea | Descriptor: | Prokaryotic transcription elongation factor GreA/GreB | Authors: | Osipiuk, J, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-04-23 | Release date: | 2007-05-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of prokaryotic transcription elongation factor GreA/GreB from Nitrosomonas europaea. To be Published
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1H5J
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![BU of 1h5j by Molmil](/molmil-images/mine/1h5j) | X-ray induced reduction of horseradish peroxidase C1A Compound III (67-78% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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2ODK
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![BU of 2odk by Molmil](/molmil-images/mine/2odk) | Putative prevent-host-death protein from Nitrosomonas europaea | Descriptor: | GLYCEROL, Hypothetical protein, SULFATE ION | Authors: | Osipiuk, J, Skarina, T, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-12-22 | Release date: | 2007-01-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crsytal structure of putative prevent-host-death protein from Nitrosomonas europaea. To be Published
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4AOC
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![BU of 4aoc by Molmil](/molmil-images/mine/4aoc) | crystal structure of BC2L-A Lectin from Burkolderia cenocepacia in complex with methyl-heptoside | Descriptor: | BC2L-A LECTIN, CALCIUM ION, SULFATE ION, ... | Authors: | Marchetti, R, Malinovska, L, Lameignere, E, deCastro, C, Cioci, G, Kosma, P, Wimmerova, M, Molinaro, A, Imberty, A, Silipo, A. | Deposit date: | 2012-03-26 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Burkholderia Cenocepacia Lectin a Binding to Heptoses from the Bacterial Lipopolysaccharide. Glycobiology, 22, 2012
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1L6S
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![BU of 1l6s by Molmil](/molmil-images/mine/1l6s) | Crystal Structure of Porphobilinogen Synthase Complexed with the Inhibitor 4,7-Dioxosebacic Acid | Descriptor: | 4,7-DIOXOSEBACIC ACID, MAGNESIUM ION, PORPHOBILINOGEN SYNTHASE, ... | Authors: | Jaffe, E.K, Kervinen, J, Martins, J, Stauffer, F, Neier, R, Wlodawer, A, Zdanov, A. | Deposit date: | 2002-03-13 | Release date: | 2002-04-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Species-Specific Inhibition of Porphobilinogen Synthase by 4-Oxosebacic Acid J.Biol.Chem., 277, 2002
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3GHT
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![BU of 3ght by Molmil](/molmil-images/mine/3ght) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Third stage of radiation damage. | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | Deposit date: | 2009-03-04 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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