2ANZ
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![BU of 2anz by Molmil](/molmil-images/mine/2anz) | cytochrome c peroxidase in complex with 2,6-diaminopyridine | Descriptor: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-08-11 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2B6A
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![BU of 2b6a by Molmil](/molmil-images/mine/2b6a) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50 | Descriptor: | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE, Reverse transcriptase p51 subunit, Reverse transcriptase p66 subunit | Authors: | Morningstar, M.L, Roth, T, Smith, M.K, Zajac, M, Watson, K, Buckheit, R.W, Das, K, Zhang, W, Arnold, E, Michejda, C.J. | Deposit date: | 2005-09-30 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50 TO BE PUBLISHED
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2AS6
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![BU of 2as6 by Molmil](/molmil-images/mine/2as6) | cytochrome c peroxidase in complex with cyclopentylamine | Descriptor: | CYCLOPENTANAMINE, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-08-22 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2AU3
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![BU of 2au3 by Molmil](/molmil-images/mine/2au3) | Crystal Structure of the Aquifex aeolicus primase (Zinc Binding and RNA Polymerase Domains) | Descriptor: | DNA primase, ZINC ION | Authors: | Corn, J.E, Pease, P.J, Hura, G.L, Berger, J.M. | Deposit date: | 2005-08-26 | Release date: | 2005-11-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crosstalk between primase subunits can act to regulate primer synthesis in trans. Mol.Cell, 20, 2005
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2APF
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![BU of 2apf by Molmil](/molmil-images/mine/2apf) | Crystal Structure of the A52V/S54N/K66E variant of the murine T cell receptor V beta 8.2 domain | Descriptor: | MALONIC ACID, T cell receptor beta chain V | Authors: | Cho, S, Swaminathan, C.P, Yang, J, Kerzic, M.C, Guan, R, Kieke, M.C, Kranz, D.M, Mariuzza, R.A, Sundberg, E.J. | Deposit date: | 2005-08-16 | Release date: | 2006-03-21 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction. Structure, 13, 2005
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5LJC
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![BU of 5ljc by Molmil](/molmil-images/mine/5ljc) | Crystal structure of holo human CRBP1 | Descriptor: | RETINOL, Retinol-binding protein 1, SODIUM ION | Authors: | Zanotti, G, Vallese, F, Berni, R, Menozzi, I. | Deposit date: | 2016-07-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.433 Å) | Cite: | Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
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5LJH
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![BU of 5ljh by Molmil](/molmil-images/mine/5ljh) | Crystal structure of human apo CRBP1/K40L mutant | Descriptor: | Retinol-binding protein 1, SODIUM ION | Authors: | Zanotti, G, Vallese, F, Berni, R, Menozzi, I. | Deposit date: | 2016-07-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
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5LJP
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7CBH
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![BU of 7cbh by Molmil](/molmil-images/mine/7cbh) | Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | Descriptor: | Threonine--tRNA ligase, ZINC ION, [(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate | Authors: | Guo, J, Chen, B, Zhou, H. | Deposit date: | 2020-06-12 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors. Eur.J.Med.Chem., 207, 2020
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2AR7
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![BU of 2ar7 by Molmil](/molmil-images/mine/2ar7) | Crystal structure of human adenylate kinase 4, AK4 | Descriptor: | Adenylate kinase 4 | Authors: | Filippakopoulos, P, Turnbull, A.P, Fedorov, O, Weigelt, J, Bunkoczi, G, Ugochukwu, E, Debreczeni, J, Niesen, F, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-19 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of human adenylate kinase 4, AK4 To be Published
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2AZR
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![BU of 2azr by Molmil](/molmil-images/mine/2azr) | Crystal structure of PTP1B with Bicyclic Thiophene inhibitor | Descriptor: | 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase, non-receptor type 1 | Authors: | Moretto, A.F, Kirincich, S.J, Xu, W.X, Smith, M.J, Wan, Z.K, Wilson, D.P, Follows, B.C, Binnun, E, Joseph-McCarthy, D, Foreman, K, Erbe, D.V, Zhang, Y.L, Tam, S.K, Tam, S.Y, Lee, J. | Deposit date: | 2005-09-12 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors. Bioorg.Med.Chem., 14, 2006
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2ASE
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![BU of 2ase by Molmil](/molmil-images/mine/2ase) | |
2B3W
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![BU of 2b3w by Molmil](/molmil-images/mine/2b3w) | NMR structure of the E.coli protein YbiA, Northeast Structural Genomics target ET24. | Descriptor: | Hypothetical protein ybiA | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shih, L.Y, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-09-21 | Release date: | 2005-11-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of the E.coli protein YbiA, Northeast Structural Genomics target ET24. To be Published
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5LFD
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![BU of 5lfd by Molmil](/molmil-images/mine/5lfd) | Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR | Descriptor: | Allantoin racemase | Authors: | Cendron, l, Zanotti, G, Percudani, R, Ramazzina, I, Puggioni, V, Maccacaro, E, Liuzzi, A, Secchi, A. | Deposit date: | 2016-07-01 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Structure and Function of a Microbial Allantoin Racemase Reveal the Origin and Conservation of a Catalytic Mechanism. Biochemistry, 55, 2016
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2B7L
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![BU of 2b7l by Molmil](/molmil-images/mine/2b7l) | Crystal Structure of CTP:Glycerol-3-Phosphate Cytidylyltransferase from Staphylococcus aureus | Descriptor: | glycerol-3-phosphate cytidylyltransferase | Authors: | Fong, D.H, Yim, V.C.-N, D'Elia, M.A, Brown, E.D, Berghuis, A.M. | Deposit date: | 2005-10-04 | Release date: | 2006-06-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of CTP:glycerol-3-phosphate cytidylyltransferase from Staphylococcus aureus: examination of structural basis for kinetic mechanism. Biochim.Biophys.Acta, 1764, 2006
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2B07
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![BU of 2b07 by Molmil](/molmil-images/mine/2b07) | Crystal structure of PTP1B with Tricyclic Thiophene inhibitor. | Descriptor: | 6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase, non-receptor type 1 | Authors: | Moretto, A.F, Kirincich, S.J, Xu, W.X, Smith, M.J, Wan, Z.K, Wilson, D.P, Follows, B.C, Binnun, E, Joseph-McCarthy, D, Foreman, K, Erbe, D.V, Zhang, Y.L, Tam, S.K, Tam, S.Y, Lee, J. | Deposit date: | 2005-09-13 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors. Bioorg.Med.Chem., 14, 2006
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5LJD
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![BU of 5ljd by Molmil](/molmil-images/mine/5ljd) | Crystal structure of holo human CRBP1/K40L mutant | Descriptor: | RETINOL, Retinol-binding protein 1, SODIUM ION | Authors: | Zanotti, G, Vallese, F, Berni, R, Menozzi, I. | Deposit date: | 2016-07-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
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2B4M
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![BU of 2b4m by Molmil](/molmil-images/mine/2b4m) | Crystal structure of the binding protein OpuAC in complex with proline betaine | Descriptor: | 1,1-DIMETHYL-PROLINIUM, Glycine betaine-binding protein | Authors: | Horn, C, Sohn-Boesser, L, Breed, J, Welte, W, Schmitt, L, Bremer, E. | Deposit date: | 2005-09-26 | Release date: | 2006-03-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular Determinants for Substrate Specificity of the Ligand-binding Protein OpuAC from Bacillus subtilis for the Compatible Solutes Glycine Betaine and Proline Betaine. J.Mol.Biol., 357, 2006
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2B4W
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![BU of 2b4w by Molmil](/molmil-images/mine/2b4w) | |
2AS1
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![BU of 2as1 by Molmil](/molmil-images/mine/2as1) | cytochrome c peroxidase in complex with thiopheneamidine | Descriptor: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-08-22 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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5LFH
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![BU of 5lfh by Molmil](/molmil-images/mine/5lfh) | NMR structure of peptide 10 targeting CXCR4 | Descriptor: | ACE-ARG-ALA-DCY-ARG-PHE-PHE-CYS | Authors: | Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L. | Deposit date: | 2016-07-01 | Release date: | 2016-09-07 | Last modified: | 2016-10-05 | Method: | SOLUTION NMR | Cite: | Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists. J.Med.Chem., 59, 2016
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7CUM
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![BU of 7cum by Molmil](/molmil-images/mine/7cum) | Cryo-EM structure of human GABA(B) receptor bound to the antagonist CGP54626 | Descriptor: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid, CHOLESTEROL, Gamma-aminobutyric acid type B receptor subunit 1, ... | Authors: | Kim, Y, Jeong, E, Jeong, J, Kim, Y, Cho, Y. | Deposit date: | 2020-08-23 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Structural Basis for Activation of the Heterodimeric GABA B Receptor. J.Mol.Biol., 432, 2020
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2B3G
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![BU of 2b3g by Molmil](/molmil-images/mine/2b3g) | p53N (fragment 33-60) bound to RPA70N | Descriptor: | Cellular tumor antigen p53, Replication protein A 70 kDa DNA-binding subunit | Authors: | Bochkareva, E, Kaustov, L, Ayed, A, Yi, G.S, Lu, Y, Pineda-Lucena, A, Liao, J.C, Okorokov, A.L, Milner, J, Arrowsmith, C.H, Bochkarev, A. | Deposit date: | 2005-09-20 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Single-stranded DNA mimicry in the p53 transactivation domain interaction with replication protein A. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2B0J
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![BU of 2b0j by Molmil](/molmil-images/mine/2b0j) | The crystal structure of the apoenzyme of the iron-sulfur-cluster-free hydrogenase (Hmd) | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase | Authors: | Pilak, O, Mamat, B, Vogt, S, Hagemeier, C.H, Thauer, R.K, Shima, S, Vonrhein, C, Warkentin, E, Ermler, U. | Deposit date: | 2005-09-14 | Release date: | 2006-04-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Crystal Structure of the Apoenzyme of the Iron-Sulphur Cluster-free Hydrogenase J.Mol.Biol., 358, 2006
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5LFF
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![BU of 5lff by Molmil](/molmil-images/mine/5lff) | NMR structure of peptide 2 targeting CXCR4 | Descriptor: | ARG-ALA-CYS-ARG-PHE-PHE-CYS | Authors: | Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L. | Deposit date: | 2016-07-01 | Release date: | 2016-09-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists. J.Med.Chem., 59, 2016
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