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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6MLP
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![BU of 6mlp by Molmil](/molmil-images/mine/6mlp) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) Y14A mutant from Salmonella typhimurium complexed with histidine | Descriptor: | ACETATE ION, GLYCEROL, HISTIDINE, ... | 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 (1.485 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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6MLA
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![BU of 6mla by Molmil](/molmil-images/mine/6mla) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D161A mutant from Salmonella typhimurium complexed with arginine | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | 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 (1.582 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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6MLN
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![BU of 6mln by Molmil](/molmil-images/mine/6mln) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) S72A mutant from Salmonella typhimurium complexed with arginine | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | 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 (1.721 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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6MKU
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![BU of 6mku by Molmil](/molmil-images/mine/6mku) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D11A mutant from Salmonella typhimurium complexed with arginine | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | 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 (1.727 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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5DHH
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![BU of 5dhh by Molmil](/molmil-images/mine/5dhh) | The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol, OLEIC ACID, ... | Authors: | Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2015-08-31 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor. Structure, 23, 2015
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6FZ2
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![BU of 6fz2 by Molmil](/molmil-images/mine/6fz2) | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ... | Authors: | Kersten, F.C, Brenk, R, Jaenicke, E. | Deposit date: | 2018-03-13 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System. J.Med.Chem., 63, 2020
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3E2B
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![BU of 3e2b by Molmil](/molmil-images/mine/3e2b) | Crystal structure of Dynein Light chain LC8 in complex with a peptide derived from Swallow | Descriptor: | ACETATE ION, Dynein light chain 1, cytoplasmic, ... | Authors: | Benison, G, Barbar, E, Karplus, P.A. | Deposit date: | 2008-08-05 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The interplay of ligand binding and quaternary structure in the diverse interactions of dynein light chain LC8. J.Mol.Biol., 384, 2008
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1JX9
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![BU of 1jx9 by Molmil](/molmil-images/mine/1jx9) | Penicillin Acylase, mutant | Descriptor: | CALCIUM ION, penicillin G acylase alpha subunit, penicillin G acylase beta subunit | Authors: | Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W. | Deposit date: | 2001-09-06 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase. Protein Eng.Des.Sel., 17, 2004
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7BS8
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![BU of 7bs8 by Molmil](/molmil-images/mine/7bs8) | Bovine Pancreatic Trypsin with Benzamidine (Cryo) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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7BS2
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![BU of 7bs2 by Molmil](/molmil-images/mine/7bs2) | Bovine Pancreatic Trypsin with serotonin (Room Temperature) | Descriptor: | CALCIUM ION, Cationic trypsin, SEROTONIN, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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7QGC
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![BU of 7qgc by Molmil](/molmil-images/mine/7qgc) | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 5.5 | Descriptor: | 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ... | Authors: | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | Deposit date: | 2021-12-08 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes. Sci Rep, 12, 2022
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7OLY
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![BU of 7oly by Molmil](/molmil-images/mine/7oly) | Structure of activin A in complex with an ActRIIB-Alk4 fusion reveal insight into activin receptor interactions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-1B, ... | Authors: | Hakansson, M, Rose, N.C, Castonguay, R, Logan, D.T, Krishnan, L. | Deposit date: | 2021-05-20 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.265 Å) | Cite: | Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors. Iscience, 25, 2022
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1LN3
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![BU of 1ln3 by Molmil](/molmil-images/mine/1ln3) | Structure of Human Phosphatidylcholine Transfer Protein in Complex with Palmitoyl-Linoleoyl Phosphatidylcholine (Seleno-Met Protein) | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Phosphatidylcholine transfer protein | Authors: | Roderick, S.L, Chan, W.W, Agate, D.S, Olsen, L.R, Vetting, M.W, Rajashankar, K.R, Cohen, D.E. | Deposit date: | 2002-05-02 | Release date: | 2002-06-26 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of human phosphatidylcholine transfer protein in complex with its ligand. Nat.Struct.Biol., 9, 2002
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4PRG
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![BU of 4prg by Molmil](/molmil-images/mine/4prg) | 0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL | Descriptor: | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA) | Authors: | Milburn, M.V. | Deposit date: | 1999-05-07 | Release date: | 1999-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation. Proc.Natl.Acad.Sci.USA, 96, 1999
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6IF5
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![BU of 6if5 by Molmil](/molmil-images/mine/6if5) | Crystal structure of monkey TLR7 in complex with 2',3'-cGMP (Guanosine 2',3'-cyclic phosphate) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE, ... | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | Deposit date: | 2018-09-18 | Release date: | 2019-01-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands. Cell Rep, 25, 2018
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3A0D
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![BU of 3a0d by Molmil](/molmil-images/mine/3a0d) | |
2HZQ
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![BU of 2hzq by Molmil](/molmil-images/mine/2hzq) | |
2HZR
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![BU of 2hzr by Molmil](/molmil-images/mine/2hzr) | Crystal structure of human apolipoprotein D (ApoD) | Descriptor: | Apolipoprotein D | Authors: | Eichinger, A, Skerra, A. | Deposit date: | 2006-08-09 | Release date: | 2007-08-14 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insight into the dual ligand specificity and mode of high density lipoprotein association of apolipoprotein d. J.Biol.Chem., 282, 2007
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3F39
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![BU of 3f39 by Molmil](/molmil-images/mine/3f39) | Apoferritin: complex with phenol | Descriptor: | CADMIUM ION, Ferritin light chain, PHENOL, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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6GMX
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![BU of 6gmx by Molmil](/molmil-images/mine/6gmx) | pVHL:EloB:EloC in complex with 6-chlorothiochroman-4-one | Descriptor: | 6-chloranyl-2,3-dihydrothiochromen-4-one, ACETATE ION, Elongin-B, ... | Authors: | Van Molle, I, Lucas, X, Ciulli, A. | Deposit date: | 2018-05-28 | Release date: | 2018-08-08 | Last modified: | 2018-09-05 | Method: | X-RAY DIFFRACTION (2.533 Å) | Cite: | Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase. J. Med. Chem., 61, 2018
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6GMQ
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![BU of 6gmq by Molmil](/molmil-images/mine/6gmq) | pVHL:EloB:EloC in complex with (4-(1H-pyrrol-1-yl)phenyl)methanol | Descriptor: | (4-pyrrol-1-ylphenyl)methanol, ACETATE ION, Elongin-B, ... | Authors: | Van Molle, I, Lucas, X, Ciulli, A. | Deposit date: | 2018-05-28 | Release date: | 2018-08-22 | Last modified: | 2018-09-05 | Method: | X-RAY DIFFRACTION (2.755 Å) | Cite: | Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase. J. Med. Chem., 61, 2018
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