4AZ0
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![BU of 4az0 by Molmil](/molmil-images/mine/4az0) | crystal structure of cathepsin a, complexed with 8a. | Descriptor: | (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | Authors: | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | Deposit date: | 2012-06-22 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A. J.Med.Chem., 55, 2012
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3NCT
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![BU of 3nct by Molmil](/molmil-images/mine/3nct) | X-ray crystal structure of the bacterial conjugation factor PsiB, a negative regulator of reca | Descriptor: | Protein psiB | Authors: | Petrova, V, Satyshur, K.A, George, N.P, McCaslin, D, Cox, M.M, Keck, J.L. | Deposit date: | 2010-06-05 | Release date: | 2010-07-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray crystal structure of the bacterial conjugation factor PsiB, a negative regulator of RecA. J.Biol.Chem., 285, 2010
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4KAJ
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![BU of 4kaj by Molmil](/molmil-images/mine/4kaj) | X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast Structural Genomics Consortium (NESG) Target OR151 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-04-22 | Release date: | 2013-06-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Northeast Structural Genomics Consortium Target OR151 To be Published
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4KAC
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![BU of 4kac by Molmil](/molmil-images/mine/4kac) | X-Ray Structure of the complex HaloTag2 with HALTS. Northeast Structural Genomics Consortium (NESG) Target OR150. | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AMMONIUM ION, Haloalkane dehalogenase, ... | Authors: | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-04-22 | Release date: | 2013-06-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.223 Å) | Cite: | Northeast Structural Genomics Consortium Target OR150 To be Published
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3TDH
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![BU of 3tdh by Molmil](/molmil-images/mine/3tdh) | Structure of the regulatory fragment of sccharomyces cerevisiae AMPK in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | Authors: | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D. | Deposit date: | 2011-08-11 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase. Cell Metab, 14, 2011
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4H6J
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![BU of 4h6j by Molmil](/molmil-images/mine/4h6j) | Identification of Cys 255 in HIF-1 as a novel site for development of covalent inhibitors of HIF-1 /ARNT PasB domain protein-protein interaction. | Descriptor: | ARYL HYDROCARBON NUCLEAR TRANSLOCATOR, HYPOXIA INDUCIBLE FACTOR 1-ALPHA | Authors: | Cardoso, R, Love, R.A, Nilsson, C, Bergqvist, S, Nowlin, D, Yan, J, Liu, K, Zhu, J, Chen, P, Deng, Y.-L, Dyson, H.J, Greig, M.J, Brooun, A. | Deposit date: | 2012-09-19 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Identification of Cys255 in HIF-1 alpha as a novel site for development of covalent inhibitors of HIF-1 alpha /ARNT PasB domain protein-protein interaction. Protein Sci., 21, 2012
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3WP8
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![BU of 3wp8 by Molmil](/molmil-images/mine/3wp8) | Acinetobacter sp. Tol 5 AtaA C-terminal Ylhead fused to GCN4 adaptors (Chead) | Descriptor: | Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-10 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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3WPO
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![BU of 3wpo by Molmil](/molmil-images/mine/3wpo) | Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1i) | Descriptor: | CHLORIDE ION, Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-14 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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3WPA
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![BU of 3wpa by Molmil](/molmil-images/mine/3wpa) | Acinetobacter sp. Tol 5 AtaA C-terminal stalk_FL fused to GCN4 adaptors (CstalkFL) | Descriptor: | CHLORIDE ION, Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-10 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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1B6Y
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![BU of 1b6y by Molmil](/molmil-images/mine/1b6y) | 3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE ADENINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS, 2 STRUCTURES | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*(EDC)P*CP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*GP*AP*GP*TP*AP*CP*G)-3' | Authors: | Korobka, A, Cullinan, D, Cosman, M, Grollman, A.P, Patel, D.J, Eisenberg, M, De Los Santos, C. | Deposit date: | 1999-01-19 | Release date: | 1999-01-27 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Solution structure of an oligodeoxynucleotide duplex containing the exocyclic lesion 3,N4-etheno-2'-deoxycytidine opposite 2'-deoxyadenosine, determined by NMR spectroscopy and restrained molecular dynamics. Biochemistry, 35, 1996
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2MPW
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![BU of 2mpw by Molmil](/molmil-images/mine/2mpw) | Solution structure of the LysM region of the E. coli Intimin periplasmic domain | Descriptor: | Intimin | Authors: | Coles, M, Chaubey, M, Leo, J.C, Linke, D, Schuetz, M.C, Goetz, F, Autenrieth, I.B. | Deposit date: | 2014-06-05 | Release date: | 2014-11-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Intimin periplasmic domain mediates dimerisation and binding to peptidoglycan. Mol.Microbiol., 95, 2015
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2N8L
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![BU of 2n8l by Molmil](/molmil-images/mine/2n8l) | |
2N8M
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![BU of 2n8m by Molmil](/molmil-images/mine/2n8m) | |
8RTZ
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![BU of 8rtz by Molmil](/molmil-images/mine/8rtz) | The structure of E. coli penicillin binding protein 3 (PBP3) in complex with a bicyclic peptide inhibitor | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Bicyclic peptide inhibitor, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Rowland, C.E, Dods, R, Lewis, N, Stanway, S.J, Bellini, D, Beswick, P. | Deposit date: | 2024-01-29 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery and chemical optimisation of a Potent, Bi-cyclic (Bicycle) Antimicrobial Inhibitor of Escherichia coli PBP3 To Be Published
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5W72
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![BU of 5w72 by Molmil](/molmil-images/mine/5w72) | |
3WPP
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![BU of 3wpp by Molmil](/molmil-images/mine/3wpp) | Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1iii) | Descriptor: | CHLORIDE ION, Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-15 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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3WQA
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![BU of 3wqa by Molmil](/molmil-images/mine/3wqa) | Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1ii) | Descriptor: | CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ... | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-24 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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3WPR
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![BU of 3wpr by Molmil](/molmil-images/mine/3wpr) | Acinetobacter sp. Tol 5 AtaA N-terminal half of C-terminal stalk fused to GCN4 adaptors (CstalkN) | Descriptor: | Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-15 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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4C47
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![BU of 4c47 by Molmil](/molmil-images/mine/4c47) | |
3UUO
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![BU of 3uuo by Molmil](/molmil-images/mine/3uuo) | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | Descriptor: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R. | Deposit date: | 2011-11-28 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
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2LME
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![BU of 2lme by Molmil](/molmil-images/mine/2lme) | Solid-state NMR structure of the membrane anchor domain of the trimeric autotransporter YadA | Descriptor: | Adhesin yadA | Authors: | Shahid, S.A, Bardiaux, B, Franks, W.T, Habeck, M, Linke, D, van Rossum, B. | Deposit date: | 2011-11-30 | Release date: | 2012-11-07 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Membrane-protein structure determination by solid-state NMR spectroscopy of microcrystals. Nat.Methods, 9, 2012
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4NOT
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![BU of 4not by Molmil](/molmil-images/mine/4not) | Crystal structure of Dioclea sclerocarpa lectin complexed with X-man | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Lectin alpha chain, ... | Authors: | Barroso-Neto, I.L, Teixeira, C.S, Correia, J.L.A, Santiago, M.Q, Pinto-Junior, V.R, Osterne, V.J.S, Plinio, D, Rocha, B.A.M, Cavada, B.S. | Deposit date: | 2013-11-20 | Release date: | 2015-01-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of Dioclea sclerocarpa lectin complexed with X-man To be Published
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2MVO
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![BU of 2mvo by Molmil](/molmil-images/mine/2mvo) | Solution structure of the lantibiotic self-resistance lipoprotein MlbQ from Microbispora ATCC PTA-5024 | Descriptor: | Putative lipoprotein | Authors: | Pozzi, R, Schwartz, P, Linke, D, Kulik, A, Nega, M, Wohlleben, W, Stegmann, E, Coles, M. | Deposit date: | 2014-10-09 | Release date: | 2015-07-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Distinct mechanisms contribute to immunity in the lantibiotic NAI-107 producer strain Microbispora ATCC PTA-5024. Environ Microbiol, 18, 2016
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1GD7
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![BU of 1gd7 by Molmil](/molmil-images/mine/1gd7) | CRYSTAL STRUCTURE OF A BIFUNCTIONAL PROTEIN (CSAA) WITH EXPORT-RELATED CHAPERONE AND TRNA-BINDING ACTIVITIES. | Descriptor: | CSAA PROTEIN | Authors: | Shibata, T, Inoue, Y, Vassylyev, D.G, Kawaguchi, S, Yokoyama, S, Muller, J, Linde, D, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2000-09-22 | Release date: | 2001-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of the ttCsaA protein: an export-related chaperone from Thermus thermophilus. EMBO J., 20, 2001
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2OPV
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![BU of 2opv by Molmil](/molmil-images/mine/2opv) | |