3LRY
 
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2RNR
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5F2Z
 | | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group | | Descriptor: | PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | | Deposit date: | 2015-12-02 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
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8OK9
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5L3K
 | | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a ternary complex with ADP and fructose-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | | Deposit date: | 2016-05-23 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.305 Å) | | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
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3LM8
 | | Crystal Structure of Thiamine pyrophosphokinase from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR677 | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Kuzin, A, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-01-29 | | Release date: | 2010-03-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Northeast Structural Genomics Consortium Target SR677
To be Published
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2RGF
 | | RBD OF RAL GUANOSINE-NUCLEOTIDE EXCHANGE FACTOR (PROTEIN), NMR, 10 STRUCTURES | | Descriptor: | RALGEF-RBD | | Authors: | Geyer, M, Herrmann, C, Wittinghofer, A, Kalbitzer, H.R. | | Deposit date: | 1997-02-13 | | Release date: | 1998-03-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the Ras-binding domain of RalGEF and implications for Ras binding and signalling.
Nat.Struct.Biol., 4, 1997
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6GCW
 | | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | | Descriptor: | 2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION | | Authors: | Yen-Pon, E, Li, B, Acebron-Garcia-de-Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | | Deposit date: | 2018-04-19 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
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8CIJ
 | | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | | Descriptor: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Musil, D, Toure, M. | | Deposit date: | 2023-02-09 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.821 Å) | | Cite: | Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
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3LO9
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3DHD
 | | Crystal structure of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2008-06-17 | | Release date: | 2009-08-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3LSV
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5LA3
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E279A | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | Deposit date: | 2016-06-13 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Accumulating the hydride state in the catalytic cycle of [FeFe]-hydrogenases.
Nat Commun, 8, 2017
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3LTW
 | | The structure of mycobacterium marinum arylamine n-acetyltransferase in complex with hydralazine | | Descriptor: | 1-hydrazinophthalazine, Arylamine N-acetyltransferase Nat, FORMIC ACID | | Authors: | Abuhammad, A.M, Lowe, E.D, Fullam, E, Noble, M, Garman, E.F, Sim, E. | | Deposit date: | 2010-02-16 | | Release date: | 2010-07-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the architecture of the Mycobacterium marinum arylamine N-acetyltransferase active site
Protein Cell, 1, 2010
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8CKP
 | | X-ray structure of the crystallization-prone form of subfamily III haloalkane dehalogenase DhmeA from Haloferax mediterranei | | Descriptor: | Alpha/beta fold hydrolase, CHLORIDE ION | | Authors: | Marek, M, Chmelova, K, Schenkmayerova, A, Croll, T, Read, R.J, Diederichs, K. | | Deposit date: | 2023-02-16 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Multimeric structure of a subfamily III haloalkane dehalogenase-like enzyme solved by combination of cryo-EM and x-ray crystallography.
Protein Sci., 32, 2023
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8CDW
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3VS1
 | | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea | | Descriptor: | 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kuratani, M, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.464 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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8OU1
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4MXE
 | | Human ESCO1 (Eco1/Ctf7 ortholog), acetyltransferase domain in complex with acetyl-CoA | | Descriptor: | ACETYL COENZYME *A, N-acetyltransferase ESCO1 | | Authors: | Karlberg, T, Wisniewska, M, Thorsell, A.G, Kouznetsova, E, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Svensson, L, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-26 | | Release date: | 2015-04-08 | | Last modified: | 2016-05-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Sister Chromatid Cohesion Establishment Factor ESCO1 Operates by Substrate-Assisted Catalysis.
Structure, 24, 2016
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3LVM
 | | Crystal Structure of E.coli IscS | | Descriptor: | Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2010-02-22 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions.
Plos Biol., 8, 2010
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3DKL
 | | Crystal structure of phosphorylated mimic form of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2008-06-25 | | Release date: | 2009-08-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
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7BFS
 | | deoxyxylose nucleic acid hairpin | | Descriptor: | DNA (5'-D(*AP*GP*CP*AP*AP*TP*CP*CP*(XC)P*(XC)P*(XC)P*(XC)P*GP*GP*AP*TP*TP*GP*CP*T)-3') | | Authors: | Mattelaer, C.-A, Mohitosh, M, Smets, L, Maiti, M, Schepers, G, Mattelaer, H.-P, Rosemeyer, H, Herdewijn, P, Lescrinier, E. | | Deposit date: | 2021-01-04 | | Release date: | 2021-01-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Stable Hairpin Structures Formed by Xylose-Based Nucleic Acids.
Chembiochem, 22, 2021
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8P00
 | | Cryo-EM structure of Rotavirus B NSP2 | | Descriptor: | Non-structural protein 2 | | Authors: | Chamera, S, Nowotny, M. | | Deposit date: | 2023-05-09 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of rotavirus B NSP2 reveals its unique tertiary architecture.
J.Virol., 98, 2024
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5F2T
 | | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group | | Descriptor: | MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | | Deposit date: | 2015-12-02 | | Release date: | 2016-03-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
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6SQ7
 | | Crystal structure of M. tuberculosis InhA in complex with NAD+ and 2-(4-chloro-3-nitrobenzoyl)benzoic acid | | Descriptor: | 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2019-09-03 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors.
J.Med.Chem., 63, 2020
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