3R9A
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![BU of 3r9a by Molmil](/molmil-images/mine/3r9a) | Human alanine-glyoxylate aminotransferase in complex with the TPR domain of human PEX5P | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peroxisomal targeting signal 1 receptor, Serine--pyruvate aminotransferase | Authors: | Fodor, K, Wilmanns, M. | Deposit date: | 2011-03-25 | Release date: | 2011-05-11 | Last modified: | 2012-05-02 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular requirements for peroxisomal targeting of alanine-glyoxylate aminotransferase as an essential determinant in primary hyperoxaluria type 1 Plos Biol., 10, 2012
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2YKL
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![BU of 2ykl by Molmil](/molmil-images/mine/2ykl) | Structure of human anti-nicotine Fab fragment in complex with nicotine-11-yl-methyl-(4-ethylamino-4-oxo)-butanoate | Descriptor: | FAB FRAGMENT, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Tars, K, Kotelovica, S, Lipowsky, G, Bauer, M, Beerli, R, Bachmann, M, Maurer, P. | Deposit date: | 2011-05-27 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Different Binding Modes of Free and Carrier-Protein-Coupled Nicotine in a Human Monoclonal Antibody. J.Mol.Biol., 415, 2012
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3N5J
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![BU of 3n5j by Molmil](/molmil-images/mine/3n5j) | Human fpps complex with NOV_311 | Descriptor: | 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-25 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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6I1S
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![BU of 6i1s by Molmil](/molmil-images/mine/6i1s) | Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201 | Descriptor: | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ... | Authors: | Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-10-30 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas. Cancer Cell, 37, 2020
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6RLW
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![BU of 6rlw by Molmil](/molmil-images/mine/6rlw) | |
3N46
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![BU of 3n46 by Molmil](/molmil-images/mine/3n46) | Human FPPS complex with NOV_980 and zoledronic acid/MG2+ | Descriptor: | (2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ... | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-21 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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6ROU
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![BU of 6rou by Molmil](/molmil-images/mine/6rou) | REP related 18-mer DNA | Descriptor: | REP related 18-mer DNA from H. parasuis, STRONTIUM ION | Authors: | Kolenko, P, Svoboda, J, Schneider, B. | Deposit date: | 2019-05-13 | Release date: | 2020-07-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.902 Å) | Cite: | Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches. Acta Crystallogr D Struct Biol, 76, 2020
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2YCR
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![BU of 2ycr by Molmil](/molmil-images/mine/2ycr) | Crystal structure of checkpoint kinase 2 in complex with inhibitor PV976 | Descriptor: | 1,3-BIS{4-[(1E)-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ETHANEHYDRAZONOYL]PHENYL}UREA, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S. | Deposit date: | 2011-03-16 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy. J.Struct.Biol., 176, 2011
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2YEG
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![BU of 2yeg by Molmil](/molmil-images/mine/2yeg) | |
2B5J
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![BU of 2b5j by Molmil](/molmil-images/mine/2b5j) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R165481 | Descriptor: | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE, MANGANESE (II) ION, Reverse transcriptase P51 SUBUNIT, ... | Authors: | Himmel, D.H, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Mguyen, C.H, Grierson, D.S, Arnold, E. | Deposit date: | 2005-09-28 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains. J.Med.Chem., 48, 2005
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3EOA
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![BU of 3eoa by Molmil](/molmil-images/mine/3eoa) | |
2YJW
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![BU of 2yjw by Molmil](/molmil-images/mine/2yjw) | Tricyclic series of Hsp90 inhibitors | Descriptor: | 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Dupuy, A, Vallee, F. | Deposit date: | 2011-05-24 | Release date: | 2011-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YKJ
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![BU of 2ykj by Molmil](/molmil-images/mine/2ykj) | Tricyclic series of Hsp90 inhibitors | Descriptor: | 2-AMINO-N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)--9H-FLUOREN-9-YL]-ISONICOTINAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Dupuy, A, Vallee, F. | Deposit date: | 2011-05-27 | Release date: | 2011-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YEE
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![BU of 2yee by Molmil](/molmil-images/mine/2yee) | |
2YHD
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![BU of 2yhd by Molmil](/molmil-images/mine/2yhd) | Human androgen receptor in complex with AF2 small molecule inhibitor | Descriptor: | 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol, ANDROGEN RECEPTOR, SULFATE ION, ... | Authors: | AxerioCilies, P, Lack, N.A, ShashiNayana, M.R, Chan, K.H, Yeung, A, LeBlanc, E, Guns, E, Rennie, P, Cherkasov, A. | Deposit date: | 2011-04-28 | Release date: | 2011-09-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of Androgen Receptor Activation Function-2 (Af2) Site Identified Through Virtual Screening. J.Med.Chem., 54, 2011
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2ULL
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![BU of 2ull by Molmil](/molmil-images/mine/2ull) | |
6IFC
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![BU of 6ifc by Molmil](/molmil-images/mine/6ifc) | Crystal structure of VapBC from Salmonella typhimurium | Descriptor: | Antitoxin VapB, CALCIUM ION, tRNA(fMet)-specific endonuclease VapC | Authors: | Park, D.W, Lee, B.J. | Deposit date: | 2018-09-19 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of proteolyzed VapBC and DNA-bound VapBC from Salmonella enterica Typhimurium LT2 and VapC as a putative Ca2+-dependent ribonuclease. Faseb J., 34, 2020
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3EO9
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![BU of 3eo9 by Molmil](/molmil-images/mine/3eo9) | Crystal structure the Fab fragment of Efalizumab | Descriptor: | Efalizumab Fab fragment, heavy chain, light chain | Authors: | Li, S, Ding, J. | Deposit date: | 2008-09-26 | Release date: | 2009-04-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance. Proc.Natl.Acad.Sci.USA, 106, 2009
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2YEH
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![BU of 2yeh by Molmil](/molmil-images/mine/2yeh) | |
3NN1
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![BU of 3nn1 by Molmil](/molmil-images/mine/3nn1) | Structure of chlorite dismutase from Candidatus Nitrospira defluvii in complex with imidazole | Descriptor: | 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ... | Authors: | Kostan, J, Sjoeblom, B, Maixner, F, Mlynek, G, Furtmueller, P.G, Obinger, C, Wagner, M, Daims, H, Djinovic-Carugo, K. | Deposit date: | 2010-06-23 | Release date: | 2010-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional characterisation of the chlorite dismutase from the nitrite-oxidizing bacterium "Candidatus Nitrospira defluvii": Identification of a catalytically important amino acid residue J.Struct.Biol., 172, 2010
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3N3L
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![BU of 3n3l by Molmil](/molmil-images/mine/3n3l) | Human FPPS complex with FBS_03 | Descriptor: | (6-methoxy-1-benzofuran-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-20 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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2BAN
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![BU of 2ban by Molmil](/molmil-images/mine/2ban) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R157208 | Descriptor: | 5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-2(1H)-ONE, MANGANESE (II) ION, Reverse transcriptase P51 subunit, ... | Authors: | Das, K, Arnold, E. | Deposit date: | 2005-10-14 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains. J.Med.Chem., 48, 2005
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6RV0
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![BU of 6rv0 by Molmil](/molmil-images/mine/6rv0) | human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma); with PMP in the active site | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase | Authors: | Giardina, G, Cutruzzola, F, Cellini, B, Mirco, D. | Deposit date: | 2019-05-30 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cycloserine enantiomers are reversible inhibitors of human alanine:glyoxylate aminotransferase: implications for Primary Hyperoxaluria type 1. Biochem.J., 476, 2019
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2B7F
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![BU of 2b7f by Molmil](/molmil-images/mine/2b7f) | Crystal structure of human T-cell leukemia virus protease, a novel target for anti-cancer design | Descriptor: | (ACE)APQV(STA)VMHP peptide, HTLV protease, PHOSPHATE ION | Authors: | Li, M, Laco, G.S, Jaskolski, M, Rozycki, J, Alexandratos, J, Wlodawer, A, Gustchina, A. | Deposit date: | 2005-10-04 | Release date: | 2005-12-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human T cell leukemia virus protease, a novel target for anticancer drug design Proc.Natl.Acad.Sci.Usa, 102, 2005
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3FH7
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![BU of 3fh7 by Molmil](/molmil-images/mine/3fh7) | |