6MKX
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![BU of 6mkx by Molmil](/molmil-images/mine/6mkx) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) R77A mutant from Salmonella typhimurium | Descriptor: | Lysine/arginine/ornithine-binding periplasmic protein | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2018-09-26 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.284 Å) | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
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6MLE
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![BU of 6mle by Molmil](/molmil-images/mine/6mle) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) from Salmonella typhimurium complexed with arginine | Descriptor: | ACETATE ION, ARGININE, Lysine/arginine/ornithine-binding periplasmic protein | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2018-09-27 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.858 Å) | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
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6MKW
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![BU of 6mkw by Molmil](/molmil-images/mine/6mkw) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D11A mutant from Salmonella typhimurium complexed with histidine | Descriptor: | GLYCEROL, HISTIDINE, Lysine/arginine/ornithine transport protein | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2018-09-26 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
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6MLG
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![BU of 6mlg by Molmil](/molmil-images/mine/6mlg) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) R77A mutant from Salmonella typhimurium complexed with arginine | Descriptor: | ACETATE ION, ARGININE, Lysine/arginine/ornithine-binding periplasmic protein, ... | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2018-09-27 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
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6MLD
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![BU of 6mld by Molmil](/molmil-images/mine/6mld) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) F52A mutant from Salmonella typhimurium | Descriptor: | ACETATE ION, Lysine/arginine/ornithine-binding periplasmic protein | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2018-09-27 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
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6SL6
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![BU of 6sl6 by Molmil](/molmil-images/mine/6sl6) | p53 charged core | Descriptor: | Cellular tumor antigen p53, GLYCEROL, ZINC ION | Authors: | Gallardo, R, Langenberg, T, Schymkowitz, J, Rousseau, F, Ulens, C. | Deposit date: | 2019-08-18 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Thermodynamic and Evolutionary Coupling between the Native and Amyloid State of Globular Proteins. Cell Rep, 31, 2020
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4ODD
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![BU of 4odd by Molmil](/molmil-images/mine/4odd) | |
3VSB
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![BU of 3vsb by Molmil](/molmil-images/mine/3vsb) | SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-09-25 | Release date: | 1998-03-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998
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3ZPQ
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![BU of 3zpq by Molmil](/molmil-images/mine/3zpq) | Thermostabilised turkey beta1 adrenergic receptor with 4-(piperazin-1- yl)-1H-indole bound (compound 19) | Descriptor: | 4-(PIPERAZIN-1-YL)-1H-INDOLE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. | Deposit date: | 2013-03-01 | Release date: | 2013-04-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design. J.Med.Chem., 56, 2013
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4GPO
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![BU of 4gpo by Molmil](/molmil-images/mine/4gpo) | |
3ZPR
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![BU of 3zpr by Molmil](/molmil-images/mine/3zpr) | Thermostabilised turkey beta1 adrenergic receptor with 4-methyl-2-(piperazin-1-yl) quinoline bound | Descriptor: | 4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. | Deposit date: | 2013-03-01 | Release date: | 2013-04-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design. J.Med.Chem., 56, 2013
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7EAP
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![BU of 7eap by Molmil](/molmil-images/mine/7eap) | Crystal structure of IpeA-XXXG complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Matsuzawa, T, Watanabe, M, Nakamichi, Y, Akita, H, Yaoi, K. | Deposit date: | 2021-03-08 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural basis for the catalytic mechanism of the glycoside hydrolase family 3 isoprimeverose-producing oligoxyloglucan hydrolase from Aspergillus oryzae. Febs Lett., 596, 2022
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3SN6
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![BU of 3sn6 by Molmil](/molmil-images/mine/3sn6) | Crystal structure of the beta2 adrenergic receptor-Gs protein complex | Descriptor: | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid antibody VHH fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Rasmussen, S.G.F, DeVree, B.T, Zou, Y, Kruse, A.C, Chung, K.Y, Kobilka, T.S, Thian, F.S, Chae, P.S, Pardon, E, Calinski, D, Mathiesen, J.M, Shah, S.T.A, Lyons, J.A, Caffrey, M, Gellman, S.H, Steyaert, J, Skiniotis, G, Weis, W.I, Sunahara, R.K, Kobilka, B.K. | Deposit date: | 2011-06-28 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the beta2 adrenergic receptor-Gs protein complex Nature, 477, 2011
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4IXJ
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![BU of 4ixj by Molmil](/molmil-images/mine/4ixj) | The structure of PilJ, a Type IV pilin from Clostridium difficile | Descriptor: | Fimbrial protein (Pilin), GLYCEROL, ZINC ION | Authors: | Piepenbrink, K.H, Sundberg, E.J, Snyder, G.A. | Deposit date: | 2013-01-25 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | Structure of Clostridium difficile PilJ Exhibits Unprecedented Divergence from Known Type IV Pilins. J.Biol.Chem., 289, 2014
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4APM
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![BU of 4apm by Molmil](/molmil-images/mine/4apm) | Crystal Structure of AMA1 from Babesia divergens | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, APICAL MEMBRANE ANTIGEN 1, ... | Authors: | Tonkin, M.L, Crawford, J, Lebrun, M.L, Boulanger, M.J. | Deposit date: | 2012-04-04 | Release date: | 2012-12-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Babesia Divergens and Neospora Caninum Apical Membrane Antigen 1 (Ama1) Structures Reveal Selectivity and Plasticity in Apicomplexan Parasite Host Cell Invasion. Protein Sci., 22, 2013
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5VNJ
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![BU of 5vnj by Molmil](/molmil-images/mine/5vnj) | |
1SXE
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![BU of 1sxe by Molmil](/molmil-images/mine/1sxe) | The solution structure of the Pointed (PNT) domain from the transcrition factor Erg | Descriptor: | Transcriptional regulator ERG | Authors: | Mackereth, C.D, Schaerpf, M, Gentile, L.N, MacIntosh, S.E, Slupsky, C.M, McIntosh, L.P. | Deposit date: | 2004-03-30 | Release date: | 2004-09-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Diversity in Structure and Function of the Ets Family PNT Domains. J.Mol.Biol., 342, 2004
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5FRB
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![BU of 5frb by Molmil](/molmil-images/mine/5frb) | Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598 | Descriptor: | (R)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2015-12-16 | Release date: | 2017-04-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure of the New Investigational Drug Candidate VT-1598 in Complex with Aspergillus fumigatus Sterol 14 alpha-Demethylase Provides Insights into Its Broad-Spectrum Antifungal Activity. Antimicrob. Agents Chemother., 61, 2017
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6ZG3
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![BU of 6zg3 by Molmil](/molmil-images/mine/6zg3) | the structure of ECF PanT transporter in a complex with a nanobody | Descriptor: | CA14381 nanobody, CITRIC ACID, Conserved hypothetical membrane protein, ... | Authors: | Setyawati, I, Guskov, A, Slotboom, D.J. | Deposit date: | 2020-06-18 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In vitro reconstitution of dynamically interacting integral membrane subunits of energy-coupling factor transporters. Elife, 9, 2020
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5JSZ
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![BU of 5jsz by Molmil](/molmil-images/mine/5jsz) | Folate ECF transporter: apo state | Descriptor: | Conserved hypothetical membrane protein, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | Authors: | Swier, L.J.Y.M, Guskov, A, Slotboom, D.J. | Deposit date: | 2016-05-09 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | Structural insight in the toppling mechanism of an energy-coupling factor transporter. Nat Commun, 7, 2016
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5X41
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![BU of 5x41 by Molmil](/molmil-images/mine/5x41) | 3.5A resolution structure of a cobalt energy-coupling factor transporter using LCP method-CbiMQO | Descriptor: | Cobalt ABC transporter ATP-binding protein, Cobalt transport protein CbiM, Uncharacterized protein CbiQ | Authors: | Bao, Z, Qi, X, Zhao, W, Li, D, Zhang, P. | Deposit date: | 2017-02-09 | Release date: | 2017-04-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Structure and mechanism of a group-I cobalt energy coupling factor transporter Cell Res., 27, 2017
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5X3X
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![BU of 5x3x by Molmil](/molmil-images/mine/5x3x) | 2.8A resolution structure of a cobalt energy-coupling factor transporter-CbiMQO | Descriptor: | Cobalt ABC transporter ATP-binding protein, Cobalt transport protein CbiM, Uncharacterized protein CbiQ | Authors: | Bao, Z, Qi, X, Wang, J, Zhang, P. | Deposit date: | 2017-02-09 | Release date: | 2017-04-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.788 Å) | Cite: | Structure and mechanism of a group-I cobalt energy coupling factor transporter Cell Res., 27, 2017
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2MKY
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![BU of 2mky by Molmil](/molmil-images/mine/2mky) | |
1EET
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![BU of 1eet by Molmil](/molmil-images/mine/1eet) | HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204 | Descriptor: | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Hogberg, M, Sahlberg, C, Engelhardt, P, Noreen, R, Kangasmetsa, J, Johansson, N.G, Oberg, B, Vrang, L, Zhang, H, Sahlberg, B.L, Unge, T, Lovgren, S, Fridborg, K, Backbro, K. | Deposit date: | 2000-02-03 | Release date: | 2001-02-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues. J.Med.Chem., 42, 1999
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5XS1
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![BU of 5xs1 by Molmil](/molmil-images/mine/5xs1) | |