2RDM
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![BU of 2rdm by Molmil](/molmil-images/mine/2rdm) | Crystal structure of response regulator receiver protein from Sinorhizobium medicae WSM419 | Descriptor: | GLYCEROL, Response regulator receiver protein | Authors: | Patskovsky, Y, Yan, Q, Zhan, C, Toro, R, Meyer, A.J, Gilmore, M, Hu, S, Groshong, C, Rodgers, L, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-09-24 | Release date: | 2007-10-09 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of response regulator receiver protein from Sinorhizobium medicae WSM419. To be Published
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5FH7
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![BU of 5fh7 by Molmil](/molmil-images/mine/5fh7) | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18 | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1 | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | Deposit date: | 2015-12-21 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex. J.Med.Chem., 59, 2016
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5FH8
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![BU of 5fh8 by Molmil](/molmil-images/mine/5fh8) | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ... | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | Deposit date: | 2015-12-21 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex. J.Med.Chem., 59, 2016
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5FDP
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![BU of 5fdp by Molmil](/molmil-images/mine/5fdp) | Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution. | Descriptor: | (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors. J.Med.Chem., 59, 2016
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5FH6
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![BU of 5fh6 by Molmil](/molmil-images/mine/5fh6) | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 | Descriptor: | (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1 | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | Deposit date: | 2015-12-21 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex. J.Med.Chem., 59, 2016
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5JDC
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![BU of 5jdc by Molmil](/molmil-images/mine/5jdc) | Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin) | Descriptor: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... | Authors: | Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L. | Deposit date: | 2016-04-16 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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5JCX
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![BU of 5jcx by Molmil](/molmil-images/mine/5jcx) | Trypanosoma brucei PTR1 in complex with inhibitor NP-29 | Descriptor: | 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... | Authors: | Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S. | Deposit date: | 2016-04-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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5JDI
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![BU of 5jdi by Molmil](/molmil-images/mine/5jdi) | Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2) | Descriptor: | 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S. | Deposit date: | 2016-04-16 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
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5JHX
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![BU of 5jhx by Molmil](/molmil-images/mine/5jhx) | Crystal Structure of Fungal MagKatG2 at pH 3.0 | Descriptor: | CITRATE ANION, Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gasselhuber, B, Obinger, C, Carpena, X. | Deposit date: | 2016-04-21 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interaction with the Redox Cofactor MYW and Functional Role of a Mobile Arginine in Eukaryotic Catalase-Peroxidase. Biochemistry, 55, 2016
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5JHY
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![BU of 5jhy by Molmil](/molmil-images/mine/5jhy) | |
4EQQ
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![BU of 4eqq by Molmil](/molmil-images/mine/4eqq) | Structure of Ltp, a superinfection exclusion protein from the Streptococcus thermophilus temperate phage TP-J34 | Descriptor: | PHOSPHATE ION, Putative host cell surface-exposed lipoprotein, SULFATE ION | Authors: | Bebeacua, C, Lorenzo, C, Blangy, S, Spinelli, S, Heller, K, Cambillau, C. | Deposit date: | 2012-04-19 | Release date: | 2013-06-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray structure of a superinfection exclusion lipoprotein from phage TP-J34 and identification of the tape measure protein as its target. Mol.Microbiol., 89, 2013
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1W34
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![BU of 1w34 by Molmil](/molmil-images/mine/1w34) | FERREDOXIN-NADP REDUCTASE (MUTATION: Y 303 S) | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Perez-Dorado, I, Medina, M, Julvez, M.M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2004-07-13 | Release date: | 2005-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H. Biochemistry, 44, 2005
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1W4V
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![BU of 1w4v by Molmil](/molmil-images/mine/1w4v) | |
7NWU
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![BU of 7nwu by Molmil](/molmil-images/mine/7nwu) | Co-crystal structure of UPF3B-RRM-NOPS-L with UPF2-MIF4GIII | Descriptor: | PENTAETHYLENE GLYCOL, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3B, ... | Authors: | Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C. | Deposit date: | 2021-03-17 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation. Nucleic Acids Res., 50, 2022
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7NX5
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![BU of 7nx5 by Molmil](/molmil-images/mine/7nx5) | |
1MQK
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![BU of 1mqk by Molmil](/molmil-images/mine/1mqk) | Crystal structure of the unliganded Fv-fragment of the anti-cytochrome C oxidase antibody 7E2 | Descriptor: | antibody 7E2 FV fragment, heavy chain, light chain | Authors: | Essen, L.-O, Harrenga, A, Ostermeier, C, Michel, H. | Deposit date: | 2002-09-16 | Release date: | 2003-04-01 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | 1.3 A X-ray structure of an antibody Fv fragment used for induced membrane-protein crystallization. Acta Crystallogr.,Sect.D, 59, 2003
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6WX1
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![BU of 6wx1 by Molmil](/molmil-images/mine/6wx1) | Antigen Binding Fragment of OKT9 | Descriptor: | GLYCEROL, OKT9 Fab Heavy Chain, OKT9 Fab Light Chain | Authors: | Rodriguez, J.A, Helguera, G, Sawaya, M, Cascio, D, Collazo, M, Flores, M, Zink, S, Ferrero, S, Payes, C, Fuentes, D, Short, C. | Deposit date: | 2020-05-09 | Release date: | 2021-05-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antibody-Based Inhibition of Pathogenic New World Hemorrhagic Fever Mammarenaviruses by Steric Occlusion of the Human Transferrin Receptor 1 Apical Domain. J.Virol., 95, 2021
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1W89
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![BU of 1w89 by Molmil](/molmil-images/mine/1w89) | |
6XE4
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![BU of 6xe4 by Molmil](/molmil-images/mine/6xe4) | BTK Fluorocyclopropyl amide inhibitor, Compound 25 | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | Deposit date: | 2020-06-11 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Acs Med.Chem.Lett., 11, 2020
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1MXK
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![BU of 1mxk by Molmil](/molmil-images/mine/1mxk) | NMR Structure of HO2-Co(III)bleomycin A(2) Bound to d(GGAAGCTTCC)(2) | Descriptor: | 5'-D(*GP*GP*AP*AP*GP*CP*TP*TP*CP*C)-3', BLEOMYCIN A2, COBALT (III) ION, ... | Authors: | Zhao, C, Xia, C, Mao, Q, Forsterling, H, DeRose, E, Antholine, W.E, Subczynski, W.K, Petering, D.H. | Deposit date: | 2002-10-02 | Release date: | 2002-10-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structures of HO(2)-Co(III)bleomycin A(2) Bound to d(GAGCTC)(2) and d(GGAAGCTTCC)(2): Structure-Reactivity Relationships of Co and Fe Bleomycins J.Inorg.Biochem., 91, 2002
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6XUC
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![BU of 6xuc by Molmil](/molmil-images/mine/6xuc) | Structure of coproheme decarboxylase from Corynebacterium diphteriae in complex with coproheme | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Chlorite dismutase | Authors: | Michlits, H, Lier, B, Pfanzagl, V, Djinovic-Carugo, K, Furtmueller, P.G, Oostenbrink, C, Obinger, C, Hofbauer, S. | Deposit date: | 2020-01-17 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8702 Å) | Cite: | Actinobacterial Coproheme Decarboxylases Use Histidine as a Distal Base to Promote Compound I Formation. Acs Catalysis, 10, 2020
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1MUI
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![BU of 1mui by Molmil](/molmil-images/mine/1mui) | Crystal structure of HIV-1 protease complexed with Lopinavir. | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | Authors: | Stoll, V, Qin, W, Stewart, K.D, Jakob, C, Park, C, Walter, K, Simmer, R.L, Helfrich, R, Bussiere, D, Kao, J, Kempf, D, Sham, H.L, Norbeck, D.W. | Deposit date: | 2002-09-23 | Release date: | 2002-10-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease BIOORG.MED.CHEM., 10, 2002
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4MU5
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![BU of 4mu5 by Molmil](/molmil-images/mine/4mu5) | Crystal structure of murine neuroglobin mutant M144W | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Vallone, B, Avella, G, Savino, C, Ardiccioni, C, Brunori, M. | Deposit date: | 2013-09-20 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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1X32
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![BU of 1x32 by Molmil](/molmil-images/mine/1x32) | |
1MTG
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![BU of 1mtg by Molmil](/molmil-images/mine/1mtg) | NMR Structure of HO2-Co(III)bleomycin A(2) bound to d(GAGCTC)(2) | Descriptor: | 5'-D(*GP*AP*GP*CP*TP*C)-3', BLEOMYCIN A2, COBALT (III) ION, ... | Authors: | Zhao, C, Xia, C, Mao, Q, Forsterling, H, DeRose, E, Antholine, W.E, Subczynski, W.K, Petering, D.H. | Deposit date: | 2002-09-20 | Release date: | 2002-10-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structures of HO(2)-Co(III)bleomycin A(2) Bound to d(GAGCTC)(2) and d(GGAAGCTTCC)(2): Structure-Reactivity Relationships of Co and Fe Bleomycins J.Inorg.Biochem., 91, 2002
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