4LYS
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![BU of 4lys by Molmil](/molmil-images/mine/4lys) | Crystal Structure of BRD4(1) bound to Colchiceine | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, SODIUM ION | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2014-01-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4M5H
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![BU of 4m5h by Molmil](/molmil-images/mine/4m5h) | The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile, CALCIUM ION, ... | Authors: | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | Deposit date: | 2013-08-08 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg.Med.Chem., 22, 2014
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4M1V
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![BU of 4m1v by Molmil](/molmil-images/mine/4m1v) | Crystal structure of the ancestral soluble variant of the Human Phosphate Binding Protein (HPBP) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | Authors: | Gonzalez, D, Hiblot, J, Darbinian, N, Miller, J.S, Gotthard, G, Amini, S, Chabriere, E, Elias, M. | Deposit date: | 2013-08-04 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Ancestral mutations as a tool for solubilizing proteins: The case of a hydrophobic phosphate-binding protein. FEBS Open Bio, 4, 2014
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4MF3
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![BU of 4mf3 by Molmil](/molmil-images/mine/4mf3) | Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist | Descriptor: | (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1 | Authors: | Martinez-Perez, J.A, Iyengar, S, Shannon, H.E, Bleakman, D, Alt, A, Clawson, D.K, Arnold, B.M, Bell, M.G, Bleisch, T.J, Castano, A.M, Del Prado, M, Dominguez, E, Escribano, A.M, Filla, S.A, Ho, K.H, Hudziak, K.J, Jones, C.K, Katofiasc, M.A, Mateo, A, Mathes, B.M, Mattiuz, E.L, Ogden, A.M.L, Phebus, L.A, Simmons, R.M.A, Stack, D.R, Stratford, R.E, Winter, M.A, Wu, Z, Ornstein, P.L. | Deposit date: | 2013-08-27 | Release date: | 2014-05-07 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy. Bioorg.Med.Chem.Lett., 23, 2013
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4MH8
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![BU of 4mh8 by Molmil](/molmil-images/mine/4mh8) | |
4M34
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![BU of 4m34 by Molmil](/molmil-images/mine/4m34) | Crystal structure of gated-pore mutant D138H of second DNA-Binding protein under starvation from Mycobacterium smegmatis | Descriptor: | CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ... | Authors: | Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D. | Deposit date: | 2013-08-06 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis J.Biol.Chem., 289, 2014
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4ME4
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![BU of 4me4 by Molmil](/molmil-images/mine/4me4) | |
4MFI
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![BU of 4mfi by Molmil](/molmil-images/mine/4mfi) | Crystal structure of Mycobacterium tuberculosis UgpB | Descriptor: | Sn-glycerol-3-phosphate ABC transporter substrate-binding protein UspB | Authors: | Jiang, D, Bartlam, M, Rao, Z. | Deposit date: | 2013-08-28 | Release date: | 2014-07-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural analysis of Mycobacterium tuberculosis ATP-binding cassette transporter subunit UgpB reveals specificity for glycerophosphocholine Febs J., 281, 2014
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4LVF
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![BU of 4lvf by Molmil](/molmil-images/mine/4lvf) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LQ3
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![BU of 4lq3 by Molmil](/molmil-images/mine/4lq3) | Crystal structure of human norovirus RNA-dependent RNA-polymerase bound to the inhibitor PPNDS | Descriptor: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, 5'-R(P*GP*G)-3', MAGNESIUM ION, ... | Authors: | Milani, M, Tarantino, D, Mastrangelo, E, Croci, R. | Deposit date: | 2013-07-17 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase. Antiviral Res., 102, 2014
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4LYW
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![BU of 4lyw by Molmil](/molmil-images/mine/4lyw) | Crystal Structure of BRD4(1) bound to inhibitor XD14 | Descriptor: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4LZR
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![BU of 4lzr by Molmil](/molmil-images/mine/4lzr) | Crystal Structure of BRD4(1) bound to Colchicine | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4LTQ
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![BU of 4ltq by Molmil](/molmil-images/mine/4ltq) | Bacterial sodium channel in low calcium, P42 space group | Descriptor: | Ion transport protein | Authors: | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | Deposit date: | 2013-07-23 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels. J.Mol.Biol., 426, 2014
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4M5K
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![BU of 4m5k by Molmil](/molmil-images/mine/4m5k) | The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, CALCIUM ION, ... | Authors: | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | Deposit date: | 2013-08-08 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.296 Å) | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg.Med.Chem., 22, 2014
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4LZS
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![BU of 4lzs by Molmil](/molmil-images/mine/4lzs) | Crystal Structure of BRD4(1) bound to inhibitor XD46 | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4M5L
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![BU of 4m5l by Molmil](/molmil-images/mine/4m5l) | The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one, CALCIUM ION, ... | Authors: | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | Deposit date: | 2013-08-08 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.094 Å) | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg.Med.Chem., 22, 2014
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4M5V
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![BU of 4m5v by Molmil](/molmil-images/mine/4m5v) | Influenza 2009 H1N1 endonuclease with 100 millimolar calcium | Descriptor: | CALCIUM ION, Polymerase PA, SULFATE ION | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-08-08 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4LT7
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![BU of 4lt7 by Molmil](/molmil-images/mine/4lt7) | Crystal structure of the c2a domain of rabphilin-3a in complex with a calcium | Descriptor: | CALCIUM ION, Rabphilin-3A | Authors: | Verdaguer, N, Ferrer-Orta, C, Buxaderas, M, Corbalan-Garcia, S, Perez-Sanchez, D, Guerrero-Valero, M, Luengo, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Guillen, J. | Deposit date: | 2013-07-23 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LVA
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![BU of 4lva by Molmil](/molmil-images/mine/4lva) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LYI
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![BU of 4lyi by Molmil](/molmil-images/mine/4lyi) | Crystal Structure of apo-BRD4(1) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ... | Authors: | Wohlwend, D. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4LZP
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![BU of 4lzp by Molmil](/molmil-images/mine/4lzp) | |
4M1A
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![BU of 4m1a by Molmil](/molmil-images/mine/4m1a) | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldella termitidis ATCC 33386 | Descriptor: | Hypothetical protein | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-02 | Release date: | 2013-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldellatermitidis ATCC 33386 To be Published
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4MCW
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![BU of 4mcw by Molmil](/molmil-images/mine/4mcw) | Crystal structure of a HD-GYP domain (a cyclic-di-GMP phosphodiesterase) containing a tri-nuclear metal centre | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, IMIDAZOLE, ... | Authors: | Bellini, D, Walsh, M.A, Oxford Protein Production Facility (OPPF) | Deposit date: | 2013-08-21 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structure of an HD-GYP domain cyclic-di-GMP phosphodiesterase reveals an enzyme with a novel trinuclear catalytic iron centre. Mol.Microbiol., 91, 2014
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4MOL
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![BU of 4mol by Molmil](/molmil-images/mine/4mol) | Pyranose 2-oxidase H167A mutant with 2-fluorinated galactose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-beta-D-galactopyranose, DODECAETHYLENE GLYCOL, ... | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | Deposit date: | 2013-09-12 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
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4L19
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![BU of 4l19 by Molmil](/molmil-images/mine/4l19) | Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1 | Descriptor: | 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, CALCIUM ION, Collagenase 3, ... | Authors: | Minond, D, Spicer, T.P, Jiang, J, Taylor, A.B, Hart, P.J, Roush, W.R, Fields, G.B, Hodder, P.S. | Deposit date: | 2013-06-02 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro. J.Med.Chem., 57, 2014
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