1GJA
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![BU of 1gja by Molmil](/molmil-images/mine/1gja) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | CITRIC ACID, N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDE, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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6XXI
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![BU of 6xxi by Molmil](/molmil-images/mine/6xxi) | Crystal Structure of Human Deoxyhypusine Synthase in complex with NAD | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Wator, E, Wilk, P, Grudnik, P. | Deposit date: | 2020-01-27 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase. Biomolecules, 10, 2020
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3AT1
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1GMY
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![BU of 1gmy by Molmil](/molmil-images/mine/1gmy) | Cathepsin B complexed with dipeptidyl nitrile inhibitor | Descriptor: | 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ... | Authors: | Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K. | Deposit date: | 2001-09-25 | Release date: | 2002-09-19 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design J.Med.Chem., 44, 2001
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6MFK
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6X8P
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![BU of 6x8p by Molmil](/molmil-images/mine/6x8p) | |
2P85
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6XD1
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![BU of 6xd1 by Molmil](/molmil-images/mine/6xd1) | Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-640 | Descriptor: | (2R)-4-(butyl{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid, RNA-dependent RNA polymerase, ZINC ION | Authors: | Arora, R, Benson, T.E, Liew, C.W, Lescar, J. | Deposit date: | 2020-06-09 | Release date: | 2020-09-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Two RNA Tunnel Inhibitors Bind in Highly Conserved Sites in Dengue Virus NS5 Polymerase: Structural and Functional Studies. J.Virol., 94, 2020
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7U5O
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![BU of 7u5o by Molmil](/molmil-images/mine/7u5o) | CRYSTAL STRUCTURE OF THE BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE 2 LIGAND BINDING DOMAIN IN COMPLEX WITH ACTIVIN-B | Descriptor: | Bone morphogenetic protein receptor type-2, Inhibin beta B chain | Authors: | Chu, K.Y, Malik, A, Thamilselvan, V, Martinez-Hackert, E. | Deposit date: | 2022-03-02 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Type II BMP and activin receptors BMPR2 and ACVR2A share a conserved mode of growth factor recognition. J.Biol.Chem., 298, 2022
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6XD0
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![BU of 6xd0 by Molmil](/molmil-images/mine/6xd0) | Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-434 | Descriptor: | 2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Arora, R, Benson, T.E, Liew, C.W, Lescar, J. | Deposit date: | 2020-06-09 | Release date: | 2020-09-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.012 Å) | Cite: | Two RNA Tunnel Inhibitors Bind in Highly Conserved Sites in Dengue Virus NS5 Polymerase: Structural and Functional Studies. J.Virol., 94, 2020
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8R60
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![BU of 8r60 by Molmil](/molmil-images/mine/8r60) | 1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2023-11-19 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | 1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide To Be Published
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6VYF
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![BU of 6vyf by Molmil](/molmil-images/mine/6vyf) | Cryo-EM structure of Plasmodium vivax hexokinase (Open state) | Descriptor: | Phosphotransferase | Authors: | Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S. | Deposit date: | 2020-02-26 | Release date: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures Iucrj, 7, 2020
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5YMR
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![BU of 5ymr by Molmil](/molmil-images/mine/5ymr) | The Crystal Structure of IseG | Descriptor: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | Authors: | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | Deposit date: | 2017-10-22 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria. Nat Commun, 10, 2019
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7W0N
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![BU of 7w0n by Molmil](/molmil-images/mine/7w0n) | Cryo-EM structure of a dimeric GPCR-Gi complex with peptide | Descriptor: | Apelin receptor early endogenous ligand, 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, ... | Authors: | Xu, F, Yue, Y, Wu, L.J, Liu, L.E, Hanson, M. | Deposit date: | 2021-11-18 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (4.21 Å) | Cite: | Structural insight into apelin receptor-G protein stoichiometry. Nat.Struct.Mol.Biol., 29, 2022
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2GHH
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![BU of 2ghh by Molmil](/molmil-images/mine/2ghh) | Conformational mobility in the active site of a heme peroxidase | Descriptor: | NITRIC OXIDE, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2006-03-27 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.013 Å) | Cite: | Conformational Mobility in the Active Site of a Heme Peroxidase. J.Biol.Chem., 281, 2006
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6ZDR
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![BU of 6zdr by Molmil](/molmil-images/mine/6zdr) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H. | Deposit date: | 2020-06-15 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.918 Å) | Cite: | X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists. Angew.Chem.Int.Ed.Engl., 59, 2020
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1XXD
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![BU of 1xxd by Molmil](/molmil-images/mine/1xxd) | Crystal Structure of the FXIa Catalytic Domain in Complex with mutated Ecotin | Descriptor: | Coagulation factor XI, Ecotin | Authors: | Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2004-11-04 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions J.Biol.Chem., 280, 2005
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6FZW
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6VON
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![BU of 6von by Molmil](/molmil-images/mine/6von) | Chloroplast ATP synthase (R1, CF1FO) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | Authors: | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | Deposit date: | 2020-01-30 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural basis of redox modulation on chloroplast ATP synthase. Commun Biol, 3, 2020
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5D85
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![BU of 5d85 by Molmil](/molmil-images/mine/5d85) | Staphyloferrin B precursor biosynthetic enzyme SbnA bound to aminoacrylate intermediate | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CITRATE ANION, GLYCEROL, ... | Authors: | Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2015-08-15 | Release date: | 2016-02-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis. Biochemistry, 55, 2016
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6VYU
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![BU of 6vyu by Molmil](/molmil-images/mine/6vyu) | Escherichia coli transcription-translation complex C2 (TTC-C2) containing a 27 nt long mRNA spacer | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | Authors: | Molodtsov, V, Wang, C, Su, M, Ebright, R.H. | Deposit date: | 2020-02-27 | Release date: | 2020-09-02 | Last modified: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Structural basis of transcription-translation coupling. Science, 369, 2020
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5H2I
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![BU of 5h2i by Molmil](/molmil-images/mine/5h2i) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 110 ns after photoexcitation | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | Deposit date: | 2016-10-15 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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7TI4
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7TI5
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6ZJD
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![BU of 6zjd by Molmil](/molmil-images/mine/6zjd) | Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2020-06-28 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3. Biochemistry, 59, 2020
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