487D
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6Z89
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![BU of 6z89 by Molmil](/molmil-images/mine/6z89) | human GTP cyclohydrolase I in complex with allosteric inhibitor | Descriptor: | 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione, GTP cyclohydrolase 1, ZINC ION | Authors: | Ebenhoch, R, Nar, H. | Deposit date: | 2020-06-02 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.366 Å) | Cite: | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 117, 2020
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1NLZ
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![BU of 1nlz by Molmil](/molmil-images/mine/1nlz) | Crystal structure of unliganded traffic ATPase of the type IV secretion system of helicobacter pylori | Descriptor: | virB11 homolog | Authors: | Savvides, S.N, Yeo, H.J, Beck, M.R, Blaesing, F, Lurz, R, Lanka, E, Buhrdorf, R, Fischer, W, Haas, R, Waksman, G. | Deposit date: | 2003-01-08 | Release date: | 2003-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | VirB11 ATPases are dynamic hexameric assemblies: New insights into bacterial type IV secretion Embo J., 22, 2003
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6YYH
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![BU of 6yyh by Molmil](/molmil-images/mine/6yyh) | Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum in ligand-free form | Descriptor: | 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ... | Authors: | Lafite, P, Daniellou, R, Bretagne, D. | Deposit date: | 2020-05-05 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis. Biochimie, 181, 2020
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5UOY
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![BU of 5uoy by Molmil](/molmil-images/mine/5uoy) | Crystal structure of human PDE1B catalytic domain in complex with inhibitor 16j (6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | Descriptor: | 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | Authors: | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | Deposit date: | 2017-02-01 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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6TEE
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1PVC
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1QEY
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![BU of 1qey by Molmil](/molmil-images/mine/1qey) | NMR Structure Determination of the Tetramerization Domain of the MNT Repressor: An Asymmetric A-Helical Assembly in Slow Exchange | Descriptor: | PROTEIN (REGULATORY PROTEIN MNT) | Authors: | Nooren, I.M.A, George, A.V.E, Kaptein, R, Sauer, R.T, Boelens, R. | Deposit date: | 1999-04-03 | Release date: | 1999-08-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The tetramerization domain of the Mnt repressor consists of two right-handed coiled coils. Nat.Struct.Biol., 6, 1999
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4APU
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![BU of 4apu by Molmil](/molmil-images/mine/4apu) | PR X-Ray structures in agonist conformations reveal two different mechanisms for partial agonism in 11beta-substituted steroids | Descriptor: | (8S,11R,13S,14S,16S,17S)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one, 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, PROGESTERONE RECEPTOR, ... | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Bosch, R, Vu-Pham, D, McGuire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2012-04-06 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of progesterone receptor ligand binding domain in its agonist state reveal differing mechanisms for mixed profiles of 11 beta-substituted steroids. J. Biol. Chem., 287, 2012
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6TOV
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![BU of 6tov by Molmil](/molmil-images/mine/6tov) | Crystal Structure of Teicoplanin Aglycone | Descriptor: | DIMETHYL SULFOXIDE, Teicoplanin Aglycone | Authors: | Belviso, B.D, Carrozzini, B, Caliandro, R, Altomare, C.D, Bolognino, I, Cellamare, S. | Deposit date: | 2019-12-12 | Release date: | 2020-01-15 | Last modified: | 2022-01-19 | Method: | X-RAY DIFFRACTION (0.767 Å) | Cite: | Enantiomeric Separation and Molecular Modelling of Bioactive 4-Aryl-3,4-dihydropyrimidin-2(1H)-one Ester Derivatives on Teicoplanin-Based Chiral Stationary Phase Separations, 2022
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6V8P
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![BU of 6v8p by Molmil](/molmil-images/mine/6v8p) | Structure of DNA Polymerase Zeta (Apo) | Descriptor: | DNA polymerase delta small subunit, DNA polymerase delta subunit 3, DNA polymerase zeta catalytic subunit, ... | Authors: | Malik, R, Gomez-Llorente, Y, Ubarretxena-Belandia, I, Aggarwal, A.K. | Deposit date: | 2019-12-11 | Release date: | 2020-08-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure and mechanism of B-family DNA polymerase zeta specialized for translesion DNA synthesis. Nat.Struct.Mol.Biol., 27, 2020
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6TS9
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![BU of 6ts9 by Molmil](/molmil-images/mine/6ts9) | Crystal structure of GES-5 carbapenemase | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ... | Authors: | Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L. | Deposit date: | 2019-12-20 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting the Class A Carbapenemase GES-5 via Virtual Screening. Biomolecules, 10, 2020
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6V8X
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![BU of 6v8x by Molmil](/molmil-images/mine/6v8x) | VRC01 Bound BG505 F14 HIV-1 SOSIP Envelope Trimer Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Henderson, R, Acharya, P. | Deposit date: | 2019-12-12 | Release date: | 2020-02-05 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements. Nat Commun, 11, 2020
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5KET
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![BU of 5ket by Molmil](/molmil-images/mine/5ket) | Structure of the aldo-keto reductase from Coptotermes gestroi | Descriptor: | Aldo-keto reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liberato, M.L, Campos, B.M, Tramontina, R, Squina, F.M. | Deposit date: | 2016-06-10 | Release date: | 2017-01-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The Coptotermes gestroi aldo-keto reductase: a multipurpose enzyme for biorefinery applications. Biotechnol Biofuels, 10, 2017
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6V2K
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![BU of 6v2k by Molmil](/molmil-images/mine/6v2k) | The nucleosome structure after H2A-H2B exchange | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A, ... | Authors: | Arimura, Y, Hirano, R, Kurumizaka, H. | Deposit date: | 2019-11-24 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Histone variant H2A.B-H2B dimers are spontaneously exchanged with canonical H2A-H2B in the nucleosome. Commun Biol, 4, 2021
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6TDO
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![BU of 6tdo by Molmil](/molmil-images/mine/6tdo) | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket. | Descriptor: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-09 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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6TDQ
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![BU of 6tdq by Molmil](/molmil-images/mine/6tdq) | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket and one GM dipeptide in the F pocket. | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-10 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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6TDS
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![BU of 6tds by Molmil](/molmil-images/mine/6tds) | Crystal structure of the disulfide engineered HLA-A0201 molecule without peptide bound after NaCl wash | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-10 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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6WGV
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![BU of 6wgv by Molmil](/molmil-images/mine/6wgv) | Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to adenosylcobalamin and PPPi | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ... | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | Deposit date: | 2020-04-06 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 . Proc.Natl.Acad.Sci.USA, 117, 2020
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7F5Y
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![BU of 7f5y by Molmil](/molmil-images/mine/7f5y) | Crystal structure of the single-stranded dna-binding protein from Mycobacterium tuberculosis- Form III | Descriptor: | FORMIC ACID, Single-stranded DNA-binding protein | Authors: | Srikalaivani, R, Paul, A, Sriram, R, Narayanan, S, Gopal, B, Vijayan, M. | Deposit date: | 2021-06-23 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural variability of Mycobacterium tuberculosis SSB and susceptibility to inhibition. Curr.Sci., 122, 2022
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7F5Z
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![BU of 7f5z by Molmil](/molmil-images/mine/7f5z) | Crystal structure of the single-stranded dna-binding protein from Mycobacterium tuberculosis- Form III | Descriptor: | Single-stranded DNA-binding protein | Authors: | Srikalaivani, R, Paul, A, Sriram, R, Narayanan, S, Gopal, B, Vijayan, M. | Deposit date: | 2021-06-23 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural variability of Mycobacterium tuberculosis SSB and susceptibility to inhibition. Curr.Sci., 122, 2022
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6WHC
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![BU of 6whc by Molmil](/molmil-images/mine/6whc) | CryoEM Structure of the glucagon receptor with a dual-agonist peptide | Descriptor: | Dual-agonist peptide, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Belousoff, M.J, Sexton, P, Danev, R. | Deposit date: | 2020-04-07 | Release date: | 2020-05-27 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-electron microscopy structure of the glucagon receptor with a dual-agonist peptide. J.Biol.Chem., 295, 2020
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4RPF
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![BU of 4rpf by Molmil](/molmil-images/mine/4rpf) | Crystal structure of homoserine kinase from Yersinia pestis Nepal516, NYSGRC target 032715 | Descriptor: | CITRIC ACID, Homoserine kinase | Authors: | Ptskovsky, Y, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-10-30 | Release date: | 2014-11-12 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Homoserine Kinase from Yersinia Pestis Nepal516, Nysgrc Target 032715 To be Published
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5D71
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![BU of 5d71 by Molmil](/molmil-images/mine/5d71) | Crystal structure of MOR04302, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | Descriptor: | DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, ... | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | Deposit date: | 2015-08-13 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody. Mabs, 8, 2016
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4P7E
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![BU of 4p7e by Molmil](/molmil-images/mine/4p7e) | Triazolopyridine compounds as selective JAK1 inhibitors: from hit identification to GLPG0634 | Descriptor: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide, Tyrosine-protein kinase JAK2 | Authors: | Menet, C.C.J, Fletcher, S, Van Lommen, G, Geney, R, Blanc, J, Smits, K, Jouannigot, N, van der Aar, E.M, Clement-Lacroix, P, Lepescheux, L, Galien, R, Vayssiere, B, Nelles, L, Christophe, T, Brys, R, Uhring, M, Ciesielski, F, Van Rompaey, L. | Deposit date: | 2014-03-27 | Release date: | 2014-11-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Triazolopyridines as Selective JAK1 Inhibitors: From Hit Identification to GLPG0634. J.Med.Chem., 57, 2014
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