4V03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v03 by Molmil](/molmil-images/mine/4v03) | MinD cell division protein, Aquifex aeolicus | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SITE-DETERMINING PROTEIN | Authors: | Trambaiolo, D, Lowe, J. | Deposit date: | 2014-09-10 | Release date: | 2015-01-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mincd Cell Division Proteins Form Alternating Copolymeric Cytomotive Filaments. Nat.Commun., 5, 2014
|
|
4V2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v2z by Molmil](/molmil-images/mine/4v2z) | |
4UQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uqu by Molmil](/molmil-images/mine/4uqu) | Crystal structure of the tetrachloroethene reductive dehalogenase from Sulfurospirillum multivorans | Descriptor: | BENZAMIDINE, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H. | Deposit date: | 2014-06-25 | Release date: | 2014-10-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.595 Å) | Cite: | Structural Basis for Organohalide Respiration. Science, 346, 2014
|
|
4USF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4usf by Molmil](/molmil-images/mine/4usf) | Human SLK with SB-440719 | Descriptor: | 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2014-07-07 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
|
|
4UVU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uvu by Molmil](/molmil-images/mine/4uvu) | Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium | Descriptor: | 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
|
|
4V35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v35 by Molmil](/molmil-images/mine/4v35) | The Structure of A-PGS from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, ALANYL-TRNA-DEPENDENT L-ALANYL- PHOPHATIDYLGLYCEROL SYNTHASE, CALCIUM ION, ... | Authors: | Krausze, J, Hebecker, S, Hasenkampf, T, Heinz, D.W, Moser, J. | Deposit date: | 2014-10-16 | Release date: | 2015-08-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4V3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v3z by Molmil](/molmil-images/mine/4v3z) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(2-(3- fluorophenyl)cyclopropylmethyl)ethan-1-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
|
|
4URV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4urv by Molmil](/molmil-images/mine/4urv) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ... | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
|
|
4UT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ut1 by Molmil](/molmil-images/mine/4ut1) | |
4W7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w7z by Molmil](/molmil-images/mine/4w7z) | Tetrameric BAP29 vDED without disulfide bonds | Descriptor: | ACETATE ION, B-cell receptor-associated protein 29, SULFATE ION | Authors: | Quistgaard, E.M. | Deposit date: | 2014-08-22 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A disulfide polymerized protein crystal. Chem.Commun.(Camb.), 50, 2014
|
|
4UUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uuu by Molmil](/molmil-images/mine/4uuu) | 1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM | Descriptor: | 1,2-ETHANEDIOL, CYSTATHIONINE BETA-SYNTHASE, S-ADENOSYLMETHIONINE | Authors: | Kopec, J, McCorvie, T.J, Fitzpatrick, F, Strain-Damerell, C, Froese, D.S, Tallant, C, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-07-31 | Release date: | 2014-08-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation. J.Biol.Chem., 289, 2014
|
|
4UWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uwi by Molmil](/molmil-images/mine/4uwi) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
|
|
4UXQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uxq by Molmil](/molmil-images/mine/4uxq) | FGFR4 in complex with Ponatinib | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 4, SULFATE ION | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | Deposit date: | 2014-08-27 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4 Structure, 22, 2014
|
|
4W8G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w8g by Molmil](/molmil-images/mine/4w8g) | |
4UZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uzr by Molmil](/molmil-images/mine/4uzr) | |
4URP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4urp by Molmil](/molmil-images/mine/4urp) | The Crystal structure of Nitroreductase from Saccharomyces cerevisiae | Descriptor: | FATTY ACID REPRESSION MUTANT PROTEIN 2 | Authors: | Song, H.-N, Woo, E.-J, Bang, S.-Y, Jung, D.-G, Park, S.-G. | Deposit date: | 2014-07-01 | Release date: | 2015-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.991 Å) | Cite: | Crystal Structure of the Fungal Nitroreductase Frm2 from Saccharomyces Cerevisiae. Protein Sci., 24, 2015
|
|
4UU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uu6 by Molmil](/molmil-images/mine/4uu6) | CRYSTAL STRUCTURE OF THE PDZ DOMAIN OF PALS1 | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Ivanova, M.E, Purkiss, A.G, McDonald, N.Q. | Deposit date: | 2014-07-24 | Release date: | 2015-01-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the human Pals1 PDZ domain with and without ligand suggest gated access of Crb to the PDZ peptide-binding groove. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
|
|
4UVK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uvk by Molmil](/molmil-images/mine/4uvk) | |
4UWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uwj by Molmil](/molmil-images/mine/4uwj) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
|
|
4UYG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uyg by Molmil](/molmil-images/mine/4uyg) | C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | Descriptor: | 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION | Authors: | Chung, C, Bamborough, P, Gosmini, R. | Deposit date: | 2014-08-31 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor. J.Med.Chem., 57, 2014
|
|
4W9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w9x by Molmil](/molmil-images/mine/4w9x) | Crystal Structure of BMP-2-inducible kinase in complex with baricitinib | Descriptor: | 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib | Authors: | Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-08-28 | Release date: | 2014-09-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases. Structure, 24, 2016
|
|
4V01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v01 by Molmil](/molmil-images/mine/4v01) | FGFR1 in complex with ponatinib (co-crystallisation). | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | Authors: | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | Deposit date: | 2014-09-10 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4 Structure, 22, 2014
|
|
4V36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v36 by Molmil](/molmil-images/mine/4v36) | The structure of L-PGS from Bacillus licheniformis | Descriptor: | 2,6-DIAMINO-HEXANOIC ACID AMIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSYL-TRNA-DEPENDENT L-YSYL-PHOSPHATIDYLGYCEROL SYNTHASE | Authors: | Krausze, J, Hebecker, S, Heinz, D.W, Moser, J. | Deposit date: | 2014-10-16 | Release date: | 2015-08-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4UR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ur0 by Molmil](/molmil-images/mine/4ur0) | Crystal structure of the PCE reductive dehalogenase from S. multivorans in complex with trichloroethene | Descriptor: | 1,1,2-trichloroethene, BENZAMIDINE, GLYCEROL, ... | Authors: | Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H. | Deposit date: | 2014-06-25 | Release date: | 2014-10-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Structural Basis for Organohalide Respiration. Science, 346, 2014
|
|
4UTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uti by Molmil](/molmil-images/mine/4uti) | XenA - oxidized - Y183F variant in complex with coumarin | Descriptor: | COUMARIN, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ... | Authors: | Werther, T, Dobbek, H. | Deposit date: | 2014-07-21 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.099 Å) | Cite: | Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase Nat Commun, 8, 2017
|
|