4OBY
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![BU of 4oby by Molmil](/molmil-images/mine/4oby) | Crystal Structure of E.coli Arginyl-tRNA Synthetase and Ligand Binding Studies Revealed Key Residues in Arginine Recognition | Descriptor: | ARGININE, Arginine--tRNA ligase | Authors: | Bi, K, Zheng, Y, Dong, J, Gao, F, Wang, J, Wang, Y, Gong, W. | Deposit date: | 2014-01-08 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.574 Å) | Cite: | Crystal structure of E. coli arginyl-tRNA synthetase and ligand binding studies revealed key residues in arginine recognition. Protein Cell, 5, 2014
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3P4E
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![BU of 3p4e by Molmil](/molmil-images/mine/3p4e) | Phosphoribosylformylglycinamidine cyclo-ligase from Vibrio cholerae | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CITRIC ACID, ... | Authors: | Osipiuk, J, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-10-06 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Phosphoribosylformylglycinamidine cyclo-ligase from Vibrio cholerae. To be Published
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2LGV
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![BU of 2lgv by Molmil](/molmil-images/mine/2lgv) | Rbx1 | Descriptor: | E3 ubiquitin-protein ligase RBX1, ZINC ION | Authors: | Spratt, D.E, Shaw, G.S. | Deposit date: | 2011-08-02 | Release date: | 2012-03-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Selective recruitment of an e2~ubiquitin complex by an e3 ubiquitin ligase. J.Biol.Chem., 287, 2012
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7QPP
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![BU of 7qpp by Molmil](/molmil-images/mine/7qpp) | High resolution structure of human VDR ligand binding domain in complex with calcitriol | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, SULFATE ION, Vitamin D3 receptor | Authors: | Rochel, N. | Deposit date: | 2022-01-05 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain. J.Med.Chem., 65, 2022
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1VGA
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![BU of 1vga by Molmil](/molmil-images/mine/1vga) | Structures of unligated and inhibitor complexes of W168F mutant of Triosephosphate Isomerase from Plasmodium falciparum | Descriptor: | Triosephosphate isomerase | Authors: | Eaazhisai, K, Balaram, H, Balaram, P, Murthy, M.R.N. | Deposit date: | 2004-04-23 | Release date: | 2004-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Unliganded and Inhibitor Complexes of W168F, a Loop6 Hinge Mutant of Plasmodium falciparum Triosephosphate Isomerase: Observation of an Intermediate Position of Loop6 J.Mol.Biol., 343, 2004
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6BKG
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![BU of 6bkg by Molmil](/molmil-images/mine/6bkg) | Human LigIV catalytic domain with bound DNA-adenylate intermediate in closed conformation | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Moon, A.F, Tumbale, P.P, Schellenberg, M.J, Williams, R.S, Williams, J.G, Kunkel, T.A, Pedersen, L.C, Bebenek, B. | Deposit date: | 2017-11-08 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Structures of DNA-bound human ligase IV catalytic core reveal insights into substrate binding and catalysis. Nat Commun, 9, 2018
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7MOP
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![BU of 7mop by Molmil](/molmil-images/mine/7mop) | Cryo-EM structure of human HUWE1 in complex with DDIT4 | Descriptor: | DNA damage-inducible transcript 4 protein, E3 ubiquitin-protein ligase HUWE1 | Authors: | Hunkeler, M, Fischer, E.S. | Deposit date: | 2021-05-03 | Release date: | 2021-07-28 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Solenoid architecture of HUWE1 contributes to ligase activity and substrate recognition. Mol.Cell, 81, 2021
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6BKF
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![BU of 6bkf by Molmil](/molmil-images/mine/6bkf) | Lysyl-adenylate form of human LigIV catalytic domain with bound DNA substrate in open conformation | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Moon, A.F, Tumbale, P.P, Schellenberg, M.J, Williams, R.S, Williams, J.G, Kunkel, T.A, Pedersen, L.C, Bebenek, B. | Deposit date: | 2017-11-08 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structures of DNA-bound human ligase IV catalytic core reveal insights into substrate binding and catalysis. Nat Commun, 9, 2018
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4Q03
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![BU of 4q03 by Molmil](/molmil-images/mine/4q03) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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8PWL
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![BU of 8pwl by Molmil](/molmil-images/mine/8pwl) | |
1DO3
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![BU of 1do3 by Molmil](/molmil-images/mine/1do3) | CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER PHOTOLYSIS AT T>180K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ostermann, A, Waschipky, R, Parak, F.G, Nienhaus, G.U. | Deposit date: | 1999-12-18 | Release date: | 2000-01-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Ligand binding and conformational motions in myoglobin. Nature, 404, 2000
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4PZY
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![BU of 4pzy by Molmil](/molmil-images/mine/4pzy) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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4Q01
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![BU of 4q01 by Molmil](/molmil-images/mine/4q01) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.291 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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1DO7
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![BU of 1do7 by Molmil](/molmil-images/mine/1do7) | CARBONMONOXY-MYOGLOBIN (MUTANT L29W) REBINDING STRUCTURE AFTER PHOTOLYSIS AT T< 180K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ostermann, A, Waschipky, R, Parak, F.G, Nienhaus, G.U. | Deposit date: | 1999-12-19 | Release date: | 2000-01-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Ligand binding and conformational motions in myoglobin. Nature, 404, 2000
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1DO1
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![BU of 1do1 by Molmil](/molmil-images/mine/1do1) | CARBONMONOXY-MYOGLOBIN MUTANT L29W AT 105K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ostermann, A, Waschipky, R, Parak, F.G, Nienhaus, G.U. | Deposit date: | 1999-12-18 | Release date: | 2000-01-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ligand binding and conformational motions in myoglobin. Nature, 404, 2000
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1DO4
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![BU of 1do4 by Molmil](/molmil-images/mine/1do4) | CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER PHOTOLYSIS AT T<180K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ostermann, A, Waschipky, R, Parak, F.G, Nienhaus, G.U. | Deposit date: | 1999-12-18 | Release date: | 2000-01-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Ligand binding and conformational motions in myoglobin. Nature, 404, 2000
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1MM6
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![BU of 1mm6 by Molmil](/molmil-images/mine/1mm6) | crystal structure of the GluR2 ligand binding core (S1S2J) in complex with quisqualate in a non zinc crystal form at 2.15 angstroms resolution | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, GLYCEROL, ... | Authors: | Jin, R, Horning, M, Mayer, M.L, Gouaux, E. | Deposit date: | 2002-09-03 | Release date: | 2003-02-04 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Mechanism of activation and selectivity in a ligand-gated ion channel: Structural and functional studies of GluR2 and quisqualate Biochemistry, 41, 2002
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4PZZ
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![BU of 4pzz by Molmil](/molmil-images/mine/4pzz) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.403 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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1R6G
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![BU of 1r6g by Molmil](/molmil-images/mine/1r6g) | Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound | Descriptor: | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL, Thyroid hormone receptor beta-1 | Authors: | Hangeland, J.J, Dejneka, T, Friends, T.J, Devasthale, P, Mellstrom, K, Sandberg, J, Grynfarb, M, Doweyko, A.M, Sack, J.S, Einspahr, H, Farnegardh, M, Husman, B, Ljunggren, J, Koehler, K, Sheppard, C, Malm, J, Ryono, D.E. | Deposit date: | 2003-10-15 | Release date: | 2005-02-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta. Bioorg.Med.Chem.Lett., 14, 2004
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2HCD
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![BU of 2hcd by Molmil](/molmil-images/mine/2hcd) | Crystal structure of the ligand binding domain of the Vitamin D nuclear receptor in complex with Gemini and a coactivator peptide | Descriptor: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | Authors: | Ciesielski, F, Rochel, N, Moras, D. | Deposit date: | 2006-06-16 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation J.Steroid Biochem.Mol.Biol., 103, 2007
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2D32
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![BU of 2d32 by Molmil](/molmil-images/mine/2d32) | Crystal Structure of Michaelis Complex of gamma-Glutamylcysteine Synthetase | Descriptor: | CYSTEINE, GLUTAMIC ACID, Glutamate--cysteine ligase, ... | Authors: | Hibi, T, Nakayama, M, Nii, H, Kurokawa, Y, Katano, H, Oda, J. | Deposit date: | 2005-09-25 | Release date: | 2006-11-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of efficient coupling peptide ligation and ATP hydrolysis by gamma-gluatamylcysteine synthetase To be Published
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4Q02
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![BU of 4q02 by Molmil](/molmil-images/mine/4q02) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 3,4-difluorobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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2NSO
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![BU of 2nso by Molmil](/molmil-images/mine/2nso) | Trna-gunanine-transglycosylase (TGT) mutant Y106F, C158V, A232S, V233G- APO-Structure | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Tidten, N, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2006-11-06 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. Plos One, 8, 2013
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1JZM
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![BU of 1jzm by Molmil](/molmil-images/mine/1jzm) | Crystal Structure of Scapharca inaequivalvis HbI, I114M Mutant in the Absence of ligand. | Descriptor: | GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. | Deposit date: | 2001-09-16 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal
Contributions to Cooperativity. Biochemistry, 40, 2001
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2HVC
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![BU of 2hvc by Molmil](/molmil-images/mine/2hvc) | The Crystal Structure of Ligand-binding Domain (LBD) of human Androgen Receptor in Complex with a selective modulator LGD2226 | Descriptor: | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE, Androgen receptor | Authors: | Wang, F, Liu, X.-Q, Li, H, Liang, K.-N, Miner, J.N, Hong, M, Kallel, E.A, van Oeveren, A, Zhi, L, Jiang, T. | Deposit date: | 2006-07-28 | Release date: | 2007-07-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the ligand-binding domain (LBD) of human androgen receptor in complex with a selective modulator LGD2226 ACTA CRYSTALLOGR.,SECT.F, 62, 2006
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