4RIP
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4M6H
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![BU of 4m6h by Molmil](/molmil-images/mine/4m6h) | Structure of the reduced, metal-free form of Mycobacterium tuberculosis peptidoglycan amidase Rv3717 | Descriptor: | Peptidoglycan Amidase Rv3717 | Authors: | Prigozhin, D.M, Mavrici, D, Huizar, J.P, Vansell, H.J, Alber, T, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2013-08-09 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Structural and Biochemical Analyses of Mycobacterium tuberculosis N-Acetylmuramyl-L-alanine Amidase Rv3717 Point to a Role in Peptidoglycan Fragment Recycling. J.Biol.Chem., 288, 2013
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5OMH
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![BU of 5omh by Molmil](/molmil-images/mine/5omh) | p38alpha in complex with pyrazolobenzothiazine inhibitor COXH11 | Descriptor: | 1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2017-07-31 | Release date: | 2019-03-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors. Biochem.Biophys.Res.Commun., 511, 2019
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4PP7
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![BU of 4pp7 by Molmil](/molmil-images/mine/4pp7) | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | Descriptor: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | Deposit date: | 2014-02-26 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 24, 2014
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4PTH
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![BU of 4pth by Molmil](/molmil-images/mine/4pth) | Ensemble model for Escherichia coli dihydrofolate reductase at 100K | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. | Deposit date: | 2014-03-10 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
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4P7G
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![BU of 4p7g by Molmil](/molmil-images/mine/4p7g) | Rat apo-COMT, phosphate bound | Descriptor: | Catechol O-methyltransferase, PHOSPHATE ION, POTASSIUM ION | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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4PDE
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![BU of 4pde by Molmil](/molmil-images/mine/4pde) | Crystal structure of FdhD in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Protein FdhD | Authors: | Arnoux, P, Walburger, A, Magalon, A, Pignol, D. | Deposit date: | 2014-04-18 | Release date: | 2015-05-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Sulphur shuttling across a chaperone during molybdenum cofactor maturation. Nat Commun, 6, 2015
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4PEO
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![BU of 4peo by Molmil](/molmil-images/mine/4peo) | Crystal structure of a hypothetical protein from Staphylococcus aureus. | Descriptor: | Hypothetical protein | Authors: | McGrath, T.E, Kisselman, G, Romanov, V, Wu-Brown, J, Soloveychik, M, Chan, T.S.Y, Gordon, R.D, Thambipillai, D, Dharamsi, A, Mansoury, K, Battaile, K.P, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-04-24 | Release date: | 2015-05-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of a hypothetical protein from Staphylococcus aureus. To Be Published
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4PI9
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![BU of 4pi9 by Molmil](/molmil-images/mine/4pi9) | Crystal structure of S. Aureus Autolysin E in complex with muropeptide NAM-L-ALA-D-iGLU | Descriptor: | (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid, Autolysin E, CHLORIDE ION, ... | Authors: | Mihelic, M, Renko, M, Turk, D. | Deposit date: | 2014-05-08 | Release date: | 2015-10-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers. IUCrJ, 4, 2017
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4PKM
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![BU of 4pkm by Molmil](/molmil-images/mine/4pkm) | Crystal Structure of Bacillus thuringiensis Cry51Aa1 Protoxin at 1.65 Angstroms Resolution | Descriptor: | Cry51Aa1, GLYCEROL, GLYCINE, ... | Authors: | Xu, C, Chinte, U, Chen, L, Yao, Q, Zhou, D, Meng, Y, Li, L, Rose, J, Bi, L.J, Yu, Z, Sun, M, Wang, B.C. | Deposit date: | 2014-05-15 | Release date: | 2015-06-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of Cry51Aa1: A potential novel insecticidal aerolysin-type beta-pore-forming toxin from Bacillus thuringiensis. Biochem.Biophys.Res.Commun., 462, 2015
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4LNZ
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4O6Y
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![BU of 4o6y by Molmil](/molmil-images/mine/4o6y) | Crystal Structure of Cytochrome b561 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Probable transmembrane ascorbate ferrireductase 2, SULFATE ION | Authors: | Lu, P, Ma, D, Yan, C, Gong, X, Du, M, Shi, Y. | Deposit date: | 2013-12-24 | Release date: | 2014-02-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and mechanism of a eukaryotic transmembrane ascorbate-dependent oxidoreductase Proc.Natl.Acad.Sci.USA, 111, 2014
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4LNY
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![BU of 4lny by Molmil](/molmil-images/mine/4lny) | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR422 | Descriptor: | CADMIUM ION, CHLORIDE ION, Engineered Protein OR422 | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Sahdev, S, Xiao, R, Maglaqui, M, Kogan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-07-12 | Release date: | 2013-08-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | Crystal Structure of Engineered Protein OR422. To be Published
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4OSV
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![BU of 4osv by Molmil](/molmil-images/mine/4osv) | Crystal structure of the S505M mutant of TAL effector dHax3 | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 | Authors: | Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. | Deposit date: | 2014-02-13 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Revisiting the TALE repeat Protein Cell, 5, 2014
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4O7G
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![BU of 4o7g by Molmil](/molmil-images/mine/4o7g) | Crystal Structure of Ascorbate-bound Cytochrome b561, crystal soaked in 1 M L-ascorbate for 40 minutes | Descriptor: | ASCORBIC ACID, PROTOPORPHYRIN IX CONTAINING FE, Probable transmembrane ascorbate ferrireductase 2, ... | Authors: | Lu, P, Ma, D, Yan, C, Gong, X, Du, M, Shi, Y. | Deposit date: | 2013-12-24 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Structure and mechanism of a eukaryotic transmembrane ascorbate-dependent oxidoreductase Proc.Natl.Acad.Sci.USA, 111, 2014
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4O91
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![BU of 4o91 by Molmil](/molmil-images/mine/4o91) | Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide | Authors: | Gurbani, D, Hunter, J.C, Tan, L, Westover, K.D. | Deposit date: | 2013-12-31 | Release date: | 2014-07-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Discovery of Type II Inhibitors of TGF beta-Activated Kinase 1 (TAK1) and Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2 (MAP4K2). J.Med.Chem., 58, 2015
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4OOI
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![BU of 4ooi by Molmil](/molmil-images/mine/4ooi) | Reduced HlyU from Vibrio cholerae N16961 | Descriptor: | Transcriptional activator HlyU | Authors: | Mukherjee, D, Datta, A.B, Chakrabarti, P. | Deposit date: | 2014-02-03 | Release date: | 2014-12-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of HlyU, the hemolysin gene transcription activator, from Vibrio cholerae N16961 and functional implications Biochim.Biophys.Acta, 1844, 2014
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4L7W
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![BU of 4l7w by Molmil](/molmil-images/mine/4l7w) | Crystal structure mutant H77A of human HD domain-containing protein 2, Genomics Consortium (NESG) Target HR6723 | Descriptor: | HD domain-containing protein 2, MAGNESIUM ION | Authors: | Kuzin, A, Su, M, Yakunin, A, Beloglazova, N, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-06-14 | Release date: | 2013-07-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.305 Å) | Cite: | Northeast Structural Genomics Consortium Target HR6723 To be Published
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4L9R
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4OSM
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![BU of 4osm by Molmil](/molmil-images/mine/4osm) | Crystal structure of the S505H mutant of TAL effector dHax3 | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 | Authors: | Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. | Deposit date: | 2014-02-13 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.454 Å) | Cite: | Revisiting the TALE repeat Protein Cell, 5, 2014
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4RHW
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![BU of 4rhw by Molmil](/molmil-images/mine/4rhw) | Crystal structure of Apaf-1 CARD and caspase-9 CARD complex | Descriptor: | Apoptotic protease-activating factor 1, CHLORIDE ION, Caspase-9, ... | Authors: | Hu, Q, Wu, D, Yan, C, Shi, Y. | Deposit date: | 2014-10-03 | Release date: | 2014-10-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular determinants of caspase-9 activation by the Apaf-1 apoptosome. Proc. Natl. Acad. Sci. U.S.A., 111, 2014
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4L8V
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![BU of 4l8v by Molmil](/molmil-images/mine/4l8v) | Crystal Structure of A12K/D35S mutant myo-inositol dehydrogenase from Bacillus subtilis with bound cofactor NADP | Descriptor: | 1,2-ETHANEDIOL, Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bertwistle, D, Sanders, D.A.R, Palmer, D.R.J. | Deposit date: | 2013-06-18 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Converting NAD-Specific Inositol Dehydrogenase to an Efficient NADP-Selective Catalyst, with a Surprising Twist. Biochemistry, 52, 2013
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4RHT
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![BU of 4rht by Molmil](/molmil-images/mine/4rht) | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase Hpt, MAGNESIUM ION, ... | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | Deposit date: | 2014-10-03 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7633 Å) | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem., 58, 2015
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4RHY
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![BU of 4rhy by Molmil](/molmil-images/mine/4rhy) | Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl]amino)ethyl]phosphonic acid | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | Deposit date: | 2014-10-03 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3196 Å) | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem., 58, 2015
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4RHX
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![BU of 4rhx by Molmil](/molmil-images/mine/4rhx) | Structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-([2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid | Authors: | Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W. | Deposit date: | 2014-10-03 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.0322 Å) | Cite: | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem., 58, 2015
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