5ES3
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![BU of 5es3 by Molmil](/molmil-images/mine/5es3) | Co-crystal structure of LDH liganded with oxamate | Descriptor: | L-lactate dehydrogenase A chain, OXAMIC ACID | Authors: | Nowicki, M.W, Wear, M.A, McNae, I.W, Blackburn, E.A. | Deposit date: | 2015-11-16 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | A Streamlined, Automated Protocol for the Production of Milligram Quantities of Untagged Recombinant Rat Lactate Dehydrogenase A Using AKTAxpressTM. Plos One, 10, 2015
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3VFK
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![BU of 3vfk by Molmil](/molmil-images/mine/3vfk) | The structure of monodechloro-teicoplanin in complex with its ligand, using ubiquitin as a ligand carrier | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ... | Authors: | Economou, N.J, Weeks, S.D, Grasty, K.C, Loll, P.J. | Deposit date: | 2012-01-09 | Release date: | 2013-01-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the complex between teicoplanin and a bacterial cell-wall peptide: use of a carrier-protein approach. Acta Crystallogr.,Sect.D, 69, 2013
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7KMA
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![BU of 7kma by Molmil](/molmil-images/mine/7kma) | Crystal structure of eif2Balpha with a ligand. | Descriptor: | 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Translation initiation factor eIF-2B subunit alpha | Authors: | Nocek, B, Hao, Q, Remarcik, C, Stoll, V, Wong, Y, Sidrauski, C. | Deposit date: | 2020-11-02 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Sugar phosphate activation of the stress sensor eIF2B. Nat Commun, 12, 2021
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7LUH
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![BU of 7luh by Molmil](/molmil-images/mine/7luh) | |
4F06
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![BU of 4f06 by Molmil](/molmil-images/mine/4f06) | Crystal structure of solute binding protein of ABC transporter from Rhodopseudomonas palustris HaA2 RPB_2270 in complex with P-HYDROXYBENZOIC ACID | Descriptor: | Extracellular ligand-binding receptor, GLYCEROL, P-HYDROXYBENZOIC ACID, ... | Authors: | Chang, C, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-05-03 | Release date: | 2012-08-15 | Last modified: | 2012-10-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Characterization of transport proteins for aromatic compounds derived from lignin: benzoate derivative binding proteins. J.Mol.Biol., 423, 2012
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2QS3
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![BU of 2qs3 by Molmil](/molmil-images/mine/2qs3) | Crystal structure of the GluR5 ligand binding core dimer in complex with UBP316 at 1.76 Angstroms resolution | Descriptor: | 3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-5-phenylthiophene-2-carboxylic acid, CHLORIDE ION, Glutamate receptor, ... | Authors: | Alushin, G.M, Jane, D.E, Mayer, M.L. | Deposit date: | 2007-07-30 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | ACET is a highly potent and specific kainate receptor antagonist: characterisation and effects on hippocampal mossy fibre function. Neuropharmacology, 56, 2009
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6IJB
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![BU of 6ijb by Molmil](/molmil-images/mine/6ijb) | Structure of 3-methylmercaptopropionate CoA ligase mutant K523A in complex with AMP and MMPA | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(methylsulfanyl)propanoic acid, ADENOSINE MONOPHOSPHATE, ... | Authors: | Shao, X, Cao, H.Y, Wang, P, Li, C.Y, Zhao, F, Peng, M, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2018-10-09 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.111 Å) | Cite: | Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria. Mol.Microbiol., 111, 2019
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3A7D
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![BU of 3a7d by Molmil](/molmil-images/mine/3a7d) | Crystal Structures of rat Catechol-O-Methyltransferase complexed with new bi-substrate type inhibitor | Descriptor: | 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Tsuji, E. | Deposit date: | 2009-09-26 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 2: Ligand Fishing using Mass Spectrometry by Detection of Ligand-Protein Non-Covalent Complex after Matrix Click Chemistry To be Published
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6IHK
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![BU of 6ihk by Molmil](/molmil-images/mine/6ihk) | Structure of MMPA CoA ligase in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AMP-binding domain protein | Authors: | Shao, X, Cao, H.Y, Wang, P, Li, C.Y, Zhao, F, Peng, M, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2018-09-30 | Release date: | 2019-07-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria. Mol.Microbiol., 111, 2019
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3RDX
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![BU of 3rdx by Molmil](/molmil-images/mine/3rdx) | Crystal structure of ligand-free R7-2 streptavidin | Descriptor: | GLYCEROL, Streptavidin | Authors: | Malashkevich, V.N, Magalhaes, M, Czecster, C.M, Guan, R, Levy, M, Almo, S.C. | Deposit date: | 2011-04-02 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Evolved streptavidin mutants reveal key role of loop residue in high-affinity binding. Protein Sci., 20, 2011
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3UU5
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![BU of 3uu5 by Molmil](/molmil-images/mine/3uu5) | The GLIC pentameric Ligand-Gated Ion Channel Loop2-20' mutant reduced in solution | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | Deposit date: | 2011-11-28 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
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3UU8
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![BU of 3uu8 by Molmil](/molmil-images/mine/3uu8) | The GLIC pentameric Ligand-Gated Ion Channel Loop2-24' mutant reduced in solution | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | Deposit date: | 2011-11-28 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
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3FDE
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![BU of 3fde by Molmil](/molmil-images/mine/3fde) | Mouse UHRF1 SRA domain bound with hemi-methylated CpG DNA, crystal structure in space group C222(1) at 1.4 A resolution | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3', ... | Authors: | Hashimoto, H, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2008-11-25 | Release date: | 2009-01-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | UHRF1, a modular multi-domain protein, regulates replication-coupled crosstalk between DNA methylation and histone modifications. Epigenetics, 4, 2009
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1OZN
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![BU of 1ozn by Molmil](/molmil-images/mine/1ozn) | 1.5A Crystal Structure of the Nogo Receptor Ligand Binding Domain Reveals a Convergent Recognition Scaffold Mediating Inhibition of Myelination | Descriptor: | ACETIC ACID, Reticulon 4 receptor, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | He, X, Bazan, J.F, Park, J.B, McDermott, G, He, Z, Garcia, K.C. | Deposit date: | 2003-04-09 | Release date: | 2003-05-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure of the Nogo Receptor Ectodomain. A Recognition module implicated in Myelin Inhibition. Neuron, 38, 2003
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4N9F
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![BU of 4n9f by Molmil](/molmil-images/mine/4n9f) | Crystal structure of the Vif-CBFbeta-CUL5-ElOB-ElOC pentameric complex | Descriptor: | Core-binding factor subunit beta, Cullin-5, Transcription elongation factor B polypeptide 1, ... | Authors: | Guo, Y.Y, Dong, L.Y, Huang, Z.W. | Deposit date: | 2013-10-21 | Release date: | 2014-01-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for hijacking CBF-b and CUL5 E3 ligase complex by HIV-1 Vif Nature, 505, 2014
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4E67
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![BU of 4e67 by Molmil](/molmil-images/mine/4e67) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with hydrocinnamoyl-derivatized PLHSpTA peptide | Descriptor: | Serine/threonine-protein kinase PLK1, hydrocinnamoyl-derivatized PLHSpTA peptide | Authors: | Sledz, P, Hyvonen, M, Tan, Y.S, Lang, S, Spring, D, Abell, C, Best, R.B. | Deposit date: | 2012-03-15 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1. Angew.Chem.Int.Ed.Engl., 51, 2012
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2DEF
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![BU of 2def by Molmil](/molmil-images/mine/2def) | |
1G48
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![BU of 1g48 by Molmil](/molmil-images/mine/1g48) | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | Deposit date: | 2000-10-26 | Release date: | 2000-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
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1G54
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![BU of 1g54 by Molmil](/molmil-images/mine/1g54) | CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]-BENZAMIDE | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | Deposit date: | 2000-10-30 | Release date: | 2000-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
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6OBB
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![BU of 6obb by Molmil](/molmil-images/mine/6obb) | JAK2 JH2 in complex with JAK170 | Descriptor: | 5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Krimmer, S.G, Liosi, M.E, Puleo, D.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2019-03-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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5I8P
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![BU of 5i8p by Molmil](/molmil-images/mine/5i8p) | Crystal structure of LP_PLA2 in complex with novel inhibitor | Descriptor: | 6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one, Platelet-activating factor acetylhydrolase | Authors: | Liu, Q.F, Xu, Y.C. | Deposit date: | 2016-02-19 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors J.Med.Chem., 59, 2016
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5X2P
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![BU of 5x2p by Molmil](/molmil-images/mine/5x2p) | Crystal structure of the medaka fish taste receptor T1r2a-T1r3 ligand binding domains in complex with L-glutamate | 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: | Nuemket, N, Yasui, N, Atsumi, N, Yamashita, A. | Deposit date: | 2017-02-02 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | Structural basis for perception of diverse chemical substances by T1r taste receptors Nat Commun, 8, 2017
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6OBF
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![BU of 6obf by Molmil](/molmil-images/mine/6obf) | JAK2 JH2 in complex with JAK179 | Descriptor: | GLYCEROL, Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | Authors: | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2019-03-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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6OCC
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![BU of 6occ by Molmil](/molmil-images/mine/6occ) | JAK2 JH2 in complex with JAK190 | Descriptor: | 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2019-03-22 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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5X2N
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![BU of 5x2n by Molmil](/molmil-images/mine/5x2n) | Crystal structure of the medaka fish taste receptor T1r2a-T1r3 ligand binding domains in complex with L-alanine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALANINE, CHLORIDE ION, ... | Authors: | Nuemket, N, Yasui, N, Atsumi, N, Yamashita, A. | Deposit date: | 2017-02-02 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for perception of diverse chemical substances by T1r taste receptors Nat Commun, 8, 2017
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