4ZRO
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![BU of 4zro by Molmil](/molmil-images/mine/4zro) | 2.1 A X-Ray Structure of FIPV-3CLpro bound to covalent inhibitor | Descriptor: | 3C-like proteinase, Bounded inhibitor of N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide, DIMETHYL SULFOXIDE | Authors: | St John, S.E, Mesecar, A.D. | Deposit date: | 2015-05-12 | Release date: | 2015-10-14 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.0566 Å) | Cite: | X-ray structure and inhibition of the feline infectious peritonitis virus 3C-like protease: Structural implications for drug design. Bioorg.Med.Chem.Lett., 25, 2015
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3VEH
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![BU of 3veh by Molmil](/molmil-images/mine/3veh) | Structure of a M. tuberculosis salicylate synthase, MbtI, in complex with an inhibitor methylAMT | Descriptor: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Bulloch, E.M, Chi, G, Manos-Turvey, A, Johnston, J.M, Baker, E.N, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-01-08 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis. Biochemistry, 51, 2012
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2IZS
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![BU of 2izs by Molmil](/molmil-images/mine/2izs) | Structure of casein kinase gamma 3 in complex with inhibitor | Descriptor: | CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | Deposit date: | 2006-07-26 | Release date: | 2006-08-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Inhibitor Binding by Casein Kinases To be Published
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8C9K
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![BU of 8c9k by Molmil](/molmil-images/mine/8c9k) | |
3PNZ
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![BU of 3pnz by Molmil](/molmil-images/mine/3pnz) | Crystal structure of the lactonase Lmo2620 from Listeria monocytogenes | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphotriesterase family protein, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Xiang, D.F, Raushel, F.M, Almo, S.C. | Deposit date: | 2010-11-20 | Release date: | 2011-11-23 | Method: | X-RAY DIFFRACTION (1.5983 Å) | Cite: | Crystal structure of the lactonase Lmo2620 from Listeria monocytogenes To be Published
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1QMV
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![BU of 1qmv by Molmil](/molmil-images/mine/1qmv) | thioredoxin peroxidase B from red blood cells | Descriptor: | PEROXIREDOXIN-2 | Authors: | Isupov, M.N, Littlechild, J.A, Lebedev, A.A, Errington, N, Vagin, A.A, Schroder, E. | Deposit date: | 1999-10-07 | Release date: | 2000-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Decameric 2-Cys Peroxiredoxin from Human Erythrocytes at 1.7 A Resolution. Structure, 8, 2000
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7K09
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![BU of 7k09 by Molmil](/molmil-images/mine/7k09) | Puromycin N-acetyltransferase in complex with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Puromycin N-acetyltransferase | Authors: | Caputo, A.T, Newman, J, Adams, T.E, Peat, T.S. | Deposit date: | 2020-09-03 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins. Sci Rep, 11, 2021
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3NAR
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![BU of 3nar by Molmil](/molmil-images/mine/3nar) | Crystal structure of ZHX1 HD4 (zinc-fingers and homeoboxes protein 1, homeodomain 4) | Descriptor: | SULFATE ION, Zinc fingers and homeoboxes protein 1 | Authors: | Ren, J, Bird, L.E, Owens, R.J, Stammers, D.K, Oxford Protein Production Facility (OPPF) | Deposit date: | 2010-06-02 | Release date: | 2010-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel structural features in two ZHX homeodomains derived from a systematic study of single and multiple domains Bmc Struct.Biol., 10, 2010
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6EL1
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![BU of 6el1 by Molmil](/molmil-images/mine/6el1) | YaxAB pore complex | Descriptor: | YaxA, YaxB | Authors: | Braeuning, B, Bertosin, E, Dietz, H, Groll, M. | Deposit date: | 2017-09-27 | Release date: | 2018-05-16 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB. Nat Commun, 9, 2018
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3E7S
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![BU of 3e7s by Molmil](/molmil-images/mine/3e7s) | Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 | Descriptor: | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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2C7S
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![BU of 2c7s by Molmil](/molmil-images/mine/2c7s) | Crystal structure of human protein tyrosine phosphatase kappa at 1.95A resolution | Descriptor: | ACETATE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE KAPPA | Authors: | Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Barr, A, Das, S, Burgess, N, Gileadi, O, Longman, E, von Delft, F, Knapp, S, Sundstron, M, Arrowsmith, C, Weigelt, J, Edwards, A. | Deposit date: | 2005-11-28 | Release date: | 2007-01-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1. Protein Sci., 15, 2006
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6ENP
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![BU of 6enp by Molmil](/molmil-images/mine/6enp) | Atomic resolution structure of human RNase 6 in the presence of phosphate anions in P21 space group. | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Ribonuclease K6, ... | Authors: | Prats-Ejarque, G, Moussaoui, M, Boix, E. | Deposit date: | 2017-10-05 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.042 Å) | Cite: | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates. Biochim Biophys Acta Gen Subj, 1863, 2019
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8CGC
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![BU of 8cgc by Molmil](/molmil-images/mine/8cgc) | Structure of CSF1R in complex with a pyrollopyrimidine (compound 23) | Descriptor: | (2S)-2-hydroxybutanedioic acid, GLYCEROL, Macrophage colony-stimulating factor 1 receptor, ... | Authors: | Aarhus, T.I, Bjornstad, F, Wolowczyk, C, Larsen, K.U, Rognstad, L, Leithaug, T, Unger, A, Habenberger, P, Wolff, A, Bjorkoy, G, Pridans, C, Eickhoff, J, Klebl, B, Hoff, B.H, Sundby, E. | Deposit date: | 2023-02-03 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | Synthesis and Development of Highly Selective Pyrrolo[2,3- d ]pyrimidine CSF1R Inhibitors Targeting the Autoinhibited Form. J.Med.Chem., 66, 2023
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3VOM
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![BU of 3vom by Molmil](/molmil-images/mine/3vom) | Structure of a putative phosphoserine aminotransferase from mycobacterium tuberculosis | Descriptor: | GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Putative phosphoserine aminotransferase, ... | Authors: | Coulibaly, F, Lassalle, E, Baker, H.M, Baker, E.N. | Deposit date: | 2012-01-30 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of phosphoserine aminotransferase from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 68, 2012
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1EPF
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![BU of 1epf by Molmil](/molmil-images/mine/1epf) | CRYSTAL STRUCTURE OF THE TWO N-TERMINAL IMMUNOGLOBULIN DOMAINS OF THE NEURAL CELL ADHESION MOLECULE (NCAM) | Descriptor: | CALCIUM ION, PROTEIN (NEURAL CELL ADHESION MOLECULE) | Authors: | Kasper, C, Rasmussen, H, Kastrup, J.S, Ikemizu, S, Jones, E.Y, Berezin, V, Bock, E, Larsen, I.K. | Deposit date: | 2000-03-29 | Release date: | 2000-10-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of cell-cell adhesion by NCAM. Nat.Struct.Biol., 7, 2000
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3EJ8
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![BU of 3ej8 by Molmil](/molmil-images/mine/3ej8) | Structure of double mutant of human iNOS oxygenase domain with bound immidazole | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-09-17 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3VU9
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![BU of 3vu9 by Molmil](/molmil-images/mine/3vu9) | Crystal Structure of Psy3-Csm2 complex | Descriptor: | 1,2-ETHANEDIOL, Chromosome segregation in meiosis protein 2, Platinum sensitivity protein 3 | Authors: | Tawaramoto, M, Sasanuma, H, Hosaka, H, Lao, J.P, Sanda, E, Suzuki, M, Yamashita, E, Hunter, N, Shinohara, M, Nakagawa, A, Shinohara, A. | Deposit date: | 2012-06-23 | Release date: | 2013-04-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A new protein complex promoting the assembly of Rad51 filaments Nat Commun, 4, 2013
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8CCZ
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![BU of 8ccz by Molmil](/molmil-images/mine/8ccz) | |
6UC1
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![BU of 6uc1 by Molmil](/molmil-images/mine/6uc1) | Crystal structure of D678A GoxA soaked in glycine at pH 7.5 | Descriptor: | GLYCINE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Yukl, E.T. | Deposit date: | 2019-09-13 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase. J.Biol.Chem., 294, 2019
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4BAY
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![BU of 4bay by Molmil](/molmil-images/mine/4bay) | Phosphomimetic mutant of LSD1-8a splicing variant in complex with CoREST | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1 | Authors: | Toffolo, E, Paganini, L, Rusconi, F, Tortorici, M, Pilotto, S, Verpelli, C, Tedeschi, G, Maffioli, E, Sala, C, Mattevi, A, Battaglioli, E. | Deposit date: | 2012-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Phosphorylation of Neuronal Lysine-Specific Demethylase 1Lsd1/Kdm1A Impairs Transcriptional Repression by Regulating Interaction with Corest and Histone Deacetylases Hdac1/2. J.Neurochem., 128, 2014
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5A0E
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![BU of 5a0e by Molmil](/molmil-images/mine/5a0e) | Crystal structure of cyclophilin D in complex with CsA analogue, JW47. | Descriptor: | JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL | Authors: | Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L. | Deposit date: | 2015-04-19 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis. J.Biol.Chem., 291, 2016
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6UGY
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![BU of 6ugy by Molmil](/molmil-images/mine/6ugy) | Crystal structure of the Fc fragment of anti-TNFa antibody infliximab (Remicade) in a primative orthorhombic crystal form, Lot C | Descriptor: | ACETATE ION, Remicade Fc, ZINC ION, ... | Authors: | Mayclin, S.J, Edwards, T.E. | Deposit date: | 2019-09-26 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of PF-06438179/GP1111, an Infliximab Biosimilar. BioDrugs, 34, 2020
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1EB6
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![BU of 1eb6 by Molmil](/molmil-images/mine/1eb6) | Deuterolysin from Aspergillus oryzae | Descriptor: | 1,2-ETHANEDIOL, NEUTRAL PROTEASE II, ZINC ION | Authors: | McAuley, K.E, Jia-Xing, Y, Dodson, E.J, Lehmbeck, J, Ostergaard, P.R, Wilson, K.S. | Deposit date: | 2001-07-19 | Release date: | 2001-11-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | A Quick Solution: Ab Initio Structure Determination of a 19 kDa Metalloproteinase Using Acorn Acta Crystallogr.,Sect.D, 57, 2001
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3V98
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![BU of 3v98 by Molmil](/molmil-images/mine/3v98) | S663D Stable-5-LOX | Descriptor: | Arachidonate 5-lipoxygenase, FE (II) ION | Authors: | Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E. | Deposit date: | 2011-12-23 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663. Faseb J., 26, 2012
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6UBZ
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![BU of 6ubz by Molmil](/molmil-images/mine/6ubz) | Crystal structure of D678A GoxA bound to glycine at pH 5.5 | Descriptor: | GLYCINE, MAGNESIUM ION, Uncharacterized protein GoxA | Authors: | Yukl, E.T. | Deposit date: | 2019-09-13 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase. J.Biol.Chem., 294, 2019
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