7VD4
| Crystal structure of BPTF-BRD with ligand TP248 bound | Descriptor: | 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B. | Deposit date: | 2021-09-06 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85659146 Å) | Cite: | Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold. Bioorg.Chem., 123, 2022
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2D3Q
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6GJR
| Cyclophilin A complexed with tri-vector ligand 9. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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6GJY
| Cyclophilin A complexed with tri-vector ligand 5. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-17 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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6GJP
| Cyclophilin A complexed with tri-vector ligand 7. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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1JRQ
| X-ray Structure Analysis of the Role of the Conserved Tyrosine-369 in Active Site of E. coli Amine Oxidase | Descriptor: | CALCIUM ION, COPPER (II) ION, Copper amine oxidase | Authors: | Murray, J.M, Kurtis, C.R, Tambarajah, W, Saysell, C.G, Wilmot, C.M, Parsons, M.R, Phillips, S.E.V, Knowles, P.F, McPherson, M.J. | Deposit date: | 2001-08-14 | Release date: | 2001-11-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Conserved tyrosine-369 in the active site of Escherichia coli copper amine oxidase is not essential. Biochemistry, 40, 2001
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6GNU
| Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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7ZNZ
| Crystal structure of unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | Descriptor: | FucOB, a GH95 family alpha-1,2-fucosidase, GLYCEROL | Authors: | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | Deposit date: | 2022-04-23 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Turning universal O into rare Bombay type blood. Nat Commun, 14, 2023
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1JXZ
| Structure of the H90Q mutant of 4-Chlorobenzoyl-Coenzyme A Dehalogenase complexed with 4-hydroxybenzoyl-Coenzyme A (product) | Descriptor: | 4-HYDROXYBENZOYL COENZYME A, 4-chlorobenzoyl Coenzyme A dehalogenase, CALCIUM ION, ... | Authors: | Thoden, J.B, Zhang, W, Wei, Y, Luo, L, Taylor, K.L, Yang, G, Dunaway-Mariano, D, Benning, M.M, Holden, H.M. | Deposit date: | 2001-09-10 | Release date: | 2001-10-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Histidine 90 Function in 4-chlorobenzoyl-coenzyme A Dehalogenase Catalysis Biochemistry, 40, 2001
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2D3Y
| Crystal structure of uracil-DNA glycosylase from Thermus Thermophilus HB8 | Descriptor: | 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ACETATE ION, IRON/SULFUR CLUSTER, ... | Authors: | Kosaka, H, Nakagawa, N, Masui, R, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-10-04 | Release date: | 2006-10-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of family 5 uracil-DNA glycosylase bound to DNA. J.Mol.Biol., 373, 2007
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7ZO0
| Crystal structure of catalytic inactive unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | Descriptor: | GH95 family alpha-1,2-fucosidase, GLYCEROL | Authors: | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | Deposit date: | 2022-04-23 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Turning universal O into rare Bombay type blood. Nat Commun, 14, 2023
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6GJL
| Cyclophilin A complexed with tri-vector ligand 10. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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5XJ4
| Complex structure of durvalumab-scFv/PD-L1 | Descriptor: | Programmed cell death 1 ligand 1, durvalumab-VH, durvalumab-VL | Authors: | Tan, S, Liu, K, Chai, Y, Gao, G.F, Qi, J. | Deposit date: | 2017-04-29 | Release date: | 2018-04-25 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Distinct PD-L1 binding characteristics of therapeutic monoclonal antibody durvalumab Protein Cell, 9, 2018
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6YJR
| Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ... | Authors: | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | Deposit date: | 2020-04-04 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V Acs Catalysis, 2020
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6GZ9
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1YWB
| 0.9 A Structure of NP4 from Rhodnius Prolixus complexed with NO at pH 5.6 | Descriptor: | NITRIC OXIDE, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Maes, E.M, Weichsel, A, Roberts, S.A, Montfort, W.R. | Deposit date: | 2005-02-17 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Ultrahigh Resolution Structures of Nitrophorin 4: Heme Distortion in Ferrous CO and NO Complexes Biochemistry, 44, 2005
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3E8E
| Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | Descriptor: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | Deposit date: | 2008-08-19 | Release date: | 2008-11-18 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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1U0C
| Y33C Mutant of Homing endonuclease I-CreI | Descriptor: | 5'-D(*CP*GP*TP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*AP*GP*C)-3', 5'-D(*GP*CP*TP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*AP*CP*G)-3', DNA endonuclease I-CreI, ... | Authors: | Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M. | Deposit date: | 2004-07-13 | Release date: | 2004-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Isolation and characterization of new homing endonuclease specificities at individual target site positions. J.Mol.Biol., 342, 2004
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2ZCG
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6H2Q
| Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and LeuPro ligand | Descriptor: | GLYCEROL, LEUCINE, MANGANESE (II) ION, ... | Authors: | Wilk, P, Piwowarczyk, R, Weiss, M.S. | Deposit date: | 2018-07-14 | Release date: | 2018-08-15 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for prolidase deficiency disease mechanisms. FEBS J., 285, 2018
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7SSP
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1K63
| Complex of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis with UT26 2-BROMO-2-PROPENE-1-OL at 1.8A resolution | Descriptor: | 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, 2-BROMO-2-PROPENE-1-OL, BROMIDE ION, ... | Authors: | Streltsov, V.A, Damborsky, J, Wilce, M.C.J. | Deposit date: | 2001-10-15 | Release date: | 2003-08-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates Biochemistry, 42, 2003
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7QBN
| Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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7QBL
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4Q5S
| Thermus thermophilus RNA polymerase initially transcribing complex containing 6-mer RNA | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*GP*CP*AP*GP*CP*CP*A)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3'), ... | Authors: | Murakami, K.S. | Deposit date: | 2014-04-17 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of transcription initiation by bacterial RNA polymerase holoenzyme. J.Biol.Chem., 289, 2014
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