6BML
 
 | | Structure of human DHHC20 palmitoyltransferase, irreversibly inhibited by 2-bromopalmitate | | Descriptor: | 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, PALMITIC ACID, PHOSPHATE ION, ... | | Authors: | Rana, M.S, Lee, C.-J, Banerjee, A. | | Deposit date: | 2017-11-15 | | Release date: | 2018-01-24 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Fatty acyl recognition and transfer by an integral membraneS-acyltransferase.
Science, 359, 2018
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5VOP
 | | Methionine synthase folate-binding domain from Thermus thermophilus HB8 native | | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydrofolate homocysteine S-methyltransferase, CITRATE ANION, ... | | Authors: | Koutmos, M, Yamada, K. | | Deposit date: | 2017-05-03 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The folate-binding module of Thermus thermophilus cobalamin-dependent methionine synthase displays a distinct variation of the classical TIM barrel: a TIM barrel with a `twist'.
Acta Crystallogr D Struct Biol, 74, 2018
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7RNS
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6QR1
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-19 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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6G4P
 | | Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol, Acetylcholinesterase, ... | | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | | Deposit date: | 2018-03-28 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
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6Z5Q
 | | The RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0 | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | | Deposit date: | 2020-05-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
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6GE0
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6QRA
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-19 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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7JR1
 | | Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin | | Descriptor: | Cationic trypsin, Kunitz-type inihibitor, SODIUM ION, ... | | Authors: | Li, M, Wlodawer, A, Gustchina, A. | | Deposit date: | 2020-08-11 | | Release date: | 2021-07-21 | | Last modified: | 2021-08-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
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5FBX
 | | Crystal structure of the first bromodomain of human BRD4 in complex with PNZ5 isoxazole inhibitor | | Descriptor: | (3~{S})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{H}-isoindol-1-one, Bromodomain-containing protein 4 | | Authors: | Tallant, C, Clark, P.G.K, Siejka, P, Fedorov, O, Nowak, R, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Brennan, P.E, Dixon, D, Knapp, S. | | Deposit date: | 2015-12-14 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the first bromodomain of human BRD4 in complex with PNZ5 isoxazole inhibitor
To Be Published
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7JQK
 | | Crystal structure of the R64A mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4 | | Descriptor: | CADMIUM ION, CHLORIDE ION, Kallikrein-4, ... | | Authors: | Li, M, Wlodawer, A, Gustchina, A. | | Deposit date: | 2020-08-11 | | Release date: | 2021-07-21 | | Last modified: | 2021-08-11 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
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6Z5X
 | | The RSL - sulfonato-calix[8]arene complex, P213 form, acetate pH 4.8 | | Descriptor: | Fucose-binding lectin protein, SODIUM ION, SULFATE ION, ... | | Authors: | Engilberge, S, Ramberg, K, Crowley, P.B. | | Deposit date: | 2020-05-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
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6QRW
 | | X-ray radiation dose series on xylose isomerase - 3.25 MGy | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | | Deposit date: | 2019-02-19 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both.
J.Synchrotron Radiat., 26, 2019
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7JQV
 | | Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4 | | Descriptor: | CHLORIDE ION, Kallikrein 4 (Prostase, enamel matrix, ... | | Authors: | Li, M, Wlodawer, A, Gustchina, A. | | Deposit date: | 2020-08-11 | | Release date: | 2021-07-21 | | Last modified: | 2021-08-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
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6QSD
 | | Crystal structure of Pizza6S | | Descriptor: | Pizza6S, SULFATE ION | | Authors: | Noguchi, H, Vandebroek, L, Kamata, K, Tame, J.R.H, Van Meervelt, L, Parac-Vogt, T.N, Voet, A.R.D. | | Deposit date: | 2019-02-20 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Hybrid assemblies of a symmetric designer protein and polyoxometalates with matching symmetry.
Chem.Commun.(Camb.), 56, 2020
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6HXG
 | | PDX1.2/PDX1.3 complex (intermediate) | | Descriptor: | Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION | | Authors: | Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B. | | Deposit date: | 2018-10-17 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019
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6BHD
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SODIUM ION, ... | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-12-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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8T0P
 | | Structure of Cse4 bound to Ame1 and Okp1 | | Descriptor: | Histone H3-like centromeric protein CSE4, Inner kinetochore subunit AME1, Inner kinetochore subunit OKP1, ... | | Authors: | Deng, S, Harrison, S.C. | | Deposit date: | 2023-06-01 | | Release date: | 2023-09-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Recognition of centromere-specific histone Cse4 by the inner kinetochore Okp1-Ame1 complex.
Embo Rep., 24, 2023
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6QSH
 | | Crystal structure of the hybrid bioinorganic complex of Pizza6S linked by the 1:2 Ce-substituted Keggin | | Descriptor: | 1:2 Ce-substituted Keggin, Pizza6S | | Authors: | Noguchi, H, Vandebroek, L, Kamata, K, Tame, J.R.H, Van Meervelt, L, Parac-Vogt, T.N, Voet, A.R.D. | | Deposit date: | 2019-02-20 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Hybrid assemblies of a symmetric designer protein and polyoxometalates with matching symmetry.
Chem.Commun.(Camb.), 56, 2020
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6HXU
 | | Crystal structure of Human RHOB Q63L in complex with GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rho-related GTP-binding protein RhoB | | Authors: | Soulie, S, Gence, R, Cabantous, S, Lajoie-Mazenc, I, Favre, G, Pedelacq, J.D. | | Deposit date: | 2018-10-18 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | A Targeted Protein Degradation Cell-Based Screening for Nanobodies Selective toward the Cellular RHOB GTP-Bound Conformation.
Cell Chem Biol, 26, 2019
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6G5K
 | | Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1 | | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-1 | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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5FCH
 | | Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris, phosphate and Zn bound | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLY-GLY-GLY, GLYCEROL, ... | | Authors: | Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.D. | | Deposit date: | 2015-12-15 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure and biochemical investigations reveal novel mode of substrate selectivity and illuminate substrate inhibition and allostericity in a subfamily of Xaa-Pro dipeptidases
Biochim. Biophys. Acta, 1865, 2017
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6HXY
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6Z4N
 | | CRYSTAL STRUCTURE OF OASS COMPLEXED WITH UPAR INHIBITOR | | Descriptor: | (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid, COBALT (II) ION, Cysteine synthase A, ... | | Authors: | Demitri, N, Storici, P, Campanini, B. | | Deposit date: | 2020-05-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Investigational Studies on a Hit Compound Cyclopropane-Carboxylic Acid Derivative Targeting O -Acetylserine Sulfhydrylase as a Colistin Adjuvant.
Acs Infect Dis., 7, 2021
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7RNJ
 | | S2P6 Fab fragment bound to the SARS-CoV/SARS-CoV-2 spike stem helix peptide | | Descriptor: | Monoclonal antibody S2P6 Fab heavy chain, Monoclonal antibody S2P6 Fab light chain, SULFATE ION, ... | | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M, Sauer, M.M, Veesler, D. | | Deposit date: | 2021-07-29 | | Release date: | 2021-08-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Broad betacoronavirus neutralization by a stem helix-specific human antibody.
Science, 373, 2021
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