4FH7
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![BU of 4fh7 by Molmil](/molmil-images/mine/4fh7) | Structure of DHP A in complex with 2,4,6-tribromophenol in 20% methanol | Descriptor: | 2,4,6-TRIBROMOPHENOL, Dehaloperoxidase A, METHANOL, ... | Authors: | de Serrano, V.S, Franzen, S. | Deposit date: | 2012-06-05 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata. Biochemistry, 52, 2013
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4FH6
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![BU of 4fh6 by Molmil](/molmil-images/mine/4fh6) | Structure of DHP A in complex with 2,4,6-tribromophenol in 10% DMSO | Descriptor: | 2,4,6-TRIBROMOPHENOL, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ... | Authors: | de Serrano, V.S, Franzen, S. | Deposit date: | 2012-06-05 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata. Biochemistry, 52, 2013
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3RDH
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![BU of 3rdh by Molmil](/molmil-images/mine/3rdh) | X-ray induced covalent inhibition of 14-3-3 | Descriptor: | 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION | Authors: | Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X. | Deposit date: | 2011-04-01 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor. Proc.Natl.Acad.Sci.USA, 108, 2011
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5UFK
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![BU of 5ufk by Molmil](/molmil-images/mine/5ufk) | Structure of the effector protein SidK (lpg0968) from Legionella pneumophila | Descriptor: | GLYCEROL, effector protein SidK | Authors: | Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M. | Deposit date: | 2017-01-04 | Release date: | 2017-05-10 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein. PLoS Pathog., 13, 2017
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5UF5
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![BU of 5uf5 by Molmil](/molmil-images/mine/5uf5) | Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer) | Descriptor: | GLYCEROL, effector protein SidK | Authors: | Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein. PLoS Pathog., 13, 2017
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8SAI
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![BU of 8sai by Molmil](/molmil-images/mine/8sai) | Cryo-EM structure of GPR34-Gi complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Yong, X.H, Zhao, C, Yan, W, Shao, Z.H. | Deposit date: | 2023-04-01 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists. Proc.Natl.Acad.Sci.USA, 120, 2023
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8IYX
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![BU of 8iyx by Molmil](/molmil-images/mine/8iyx) | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | Descriptor: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 | Authors: | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | Deposit date: | 2023-04-06 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists. Proc.Natl.Acad.Sci.USA, 120, 2023
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5H3R
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![BU of 5h3r by Molmil](/molmil-images/mine/5h3r) | Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA | Descriptor: | DNA (5'-D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*TP*AP*TP*TP*GP*CP*CP*CP*AP*GP*GP*CP*AP*AP*GP*TP*AP*T)-3'), Multiple antibiotic resistance protein MarR | Authors: | Zhu, R, Lou, H, Hao, Z. | Deposit date: | 2016-10-26 | Release date: | 2017-08-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural characterization of the DNA-binding mechanism underlying the copper(II)-sensing MarR transcriptional regulator. J. Biol. Inorg. Chem., 22, 2017
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5I7U
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![BU of 5i7u by Molmil](/molmil-images/mine/5i7u) | Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor | Descriptor: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2016-02-18 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes. Acs Med.Chem.Lett., 7, 2016
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2QN1
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![BU of 2qn1 by Molmil](/molmil-images/mine/2qn1) | Glycogen Phosphorylase b in complex with asiatic acid | Descriptor: | Glycogen phosphorylase, muscle form, asiatic acid | Authors: | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | Deposit date: | 2007-07-17 | Release date: | 2008-06-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies J.Med.Chem., 51, 2008
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2QN2
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![BU of 2qn2 by Molmil](/molmil-images/mine/2qn2) | Glycogen Phosphorylase b in complex with Maslinic Acid | Descriptor: | Glycogen phosphorylase, muscle form, maslinic acid | Authors: | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | Deposit date: | 2007-07-17 | Release date: | 2008-06-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies J.Med.Chem., 51, 2008
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4XAQ
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![BU of 4xaq by Molmil](/molmil-images/mine/4xaq) | mGluR2 ECD and mGluR3 ECD with ligands | Descriptor: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ... | Authors: | Clawson, D.K. | Deposit date: | 2014-12-15 | Release date: | 2015-02-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
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4XAR
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![BU of 4xar by Molmil](/molmil-images/mine/4xar) | mGluR2 ECD and mGluR3 ECD complex with ligands | Descriptor: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3 | Authors: | Clawson, D.K. | Deposit date: | 2014-12-15 | Release date: | 2015-02-11 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
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4XAS
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![BU of 4xas by Molmil](/molmil-images/mine/4xas) | mGluR2 ECD ligand complex | Descriptor: | (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2 | Authors: | Clawson, D.K. | Deposit date: | 2014-12-15 | Release date: | 2015-02-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
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5CNK
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![BU of 5cnk by Molmil](/molmil-images/mine/5cnk) | mglur3 with glutamate | Descriptor: | GLUTAMIC ACID, IODIDE ION, Metabotropic glutamate receptor 3 | Authors: | Monn, J.A, Clawson, D.K. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2023-02-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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5CNJ
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![BU of 5cnj by Molmil](/molmil-images/mine/5cnj) | mGlur2 with glutamate analog | Descriptor: | (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | Authors: | Monn, J.A, Clawson, D.K. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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5CNI
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![BU of 5cni by Molmil](/molmil-images/mine/5cni) | mGlu2 with Glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | Authors: | Clawson, D.K, Atwell, S, Monn, J.A. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2023-02-15 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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5CNM
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![BU of 5cnm by Molmil](/molmil-images/mine/5cnm) | mGluR3 complexed with glutamate analog | Descriptor: | (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Monn, J.A, Clawson, D.K, McKinzie, D. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2015-10-07 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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8UG3
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![BU of 8ug3 by Molmil](/molmil-images/mine/8ug3) | Crystal structure of KHK-C and compound 23 | Descriptor: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ... | Authors: | Durbin, J.D, Guo, S.Y. | Deposit date: | 2023-10-05 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor. J.Med.Chem., 66, 2023
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8UG1
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![BU of 8ug1 by Molmil](/molmil-images/mine/8ug1) | Crystal structure of KHK-C and compound 13 | Descriptor: | GLYCEROL, Ketohexokinase, SULFATE ION, ... | Authors: | Durbin, J.D, Guo, S.Y. | Deposit date: | 2023-10-05 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor. J.Med.Chem., 66, 2023
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6B7H
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![BU of 6b7h by Molmil](/molmil-images/mine/6b7h) | Structure of mGluR3 with an agonist | Descriptor: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Monn, J.A, Clawson, D.K. | Deposit date: | 2017-10-04 | Release date: | 2018-04-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Synthesis and Pharmacological Characterization of C4beta-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu3Receptor Agonist. J. Med. Chem., 61, 2018
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7K3H
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![BU of 7k3h by Molmil](/molmil-images/mine/7k3h) | Crystal structure of deep network hallucinated protein 0217 | Descriptor: | Network hallucinated protein 0217 | Authors: | Pellock, S.J, Anishchenko, I, Chidyausiku, T.M, Bera, A.K, DiMaio, F, Baker, D. | Deposit date: | 2020-09-11 | Release date: | 2021-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo protein design by deep network hallucination. Nature, 600, 2021
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7JQ8
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![BU of 7jq8 by Molmil](/molmil-images/mine/7jq8) | Solution NMR structure of human Brd3 ET domain | Descriptor: | Bromodomain-containing protein 3, Integrase peptide | Authors: | Aiyer, S, Swapna, G.V.T, Roth, J.M, Montelione, G.T. | Deposit date: | 2020-08-10 | Release date: | 2021-06-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins. Structure, 29, 2021
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7JMY
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![BU of 7jmy by Molmil](/molmil-images/mine/7jmy) | |
7JYN
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![BU of 7jyn by Molmil](/molmil-images/mine/7jyn) | Solution NMR structure of human Brd3 ET complexed with NSD3(148-184) peptide | Descriptor: | Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3 | Authors: | Aiyer, S, Swapna, G.V.T, Roth, M.J, Montelione, G.T. | Deposit date: | 2020-08-31 | Release date: | 2021-06-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins. Structure, 29, 2021
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