4FZV
 
 | | Crystal structure of the human MTERF4:NSUN4:SAM ternary complex | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Putative methyltransferase NSUN4, ... | | Authors: | Guja, K.E, Yakubovskaya, E, Mejia, E, Castano, S, Hambardjieva, E, Choi, W.S, Garcia-Diaz, M. | | Deposit date: | 2012-07-08 | | Release date: | 2012-10-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9996 Å) | | Cite: | Structure of the Essential MTERF4:NSUN4 Protein Complex Reveals How an MTERF Protein Collaborates to Facilitate rRNA Modification.
Structure, 20, 2012
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2OZX
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6JV9
 | | Crystal Structure of Human CRMP2 1-532, unmodified | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dihydropyrimidinase-related protein 2, ... | | Authors: | Jiang, X, Ogawa, T, Hirokawa, N. | | Deposit date: | 2019-04-16 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Enhanced carbonyl stress induces irreversible multimerization of CRMP2 in schizophrenia pathogenesis.
Life Sci Alliance, 2, 2019
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4G6W
 | | Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol | | Descriptor: | 4-bromobenzene-1,2,3-triol, SULFATE ION, Thymidylate synthase | | Authors: | Celeste, L.R, Lebioda, L. | | Deposit date: | 2012-07-19 | | Release date: | 2013-07-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published, 2012
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4J5A
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Rationnal Design of small-molecule inhibitors of human Cyclophilins and HCV replication.
to be published
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4J64
 | | Crystal structure of Ribonuclease A soaked in 40% Dioxane: One of twelve in MSCS set | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic, SULFATE ION | | Authors: | Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. | | Deposit date: | 2013-02-11 | | Release date: | 2014-01-22 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | DRoP: A program for analysis of water structure on protein surfaces
to be published
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3EGY
 | | Crystal Structure of Human Thymidyalte Synthase A191K with Loop 181-197 stabilized in the inactive conformation | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase | | Authors: | Lovelace, L.L, Gibson, L.M, Johnson, S.R, Berger, S.H, Lebioda, L. | | Deposit date: | 2008-09-11 | | Release date: | 2009-08-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Variants of human thymidylate synthase with loop 181-197 stabilized in the inactive conformation.
Protein Sci., 18, 2009
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1DWA
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6AX1
 | | Structure of human monoacylglycerol lipase bound to a covalent inhibitor | | Descriptor: | 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, Monoglyceride lipase | | Authors: | Pandit, J. | | Deposit date: | 2017-09-06 | | Release date: | 2017-12-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase.
J. Med. Chem., 60, 2017
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2ZMD
 | | Crystal structure of human Mps1 catalytic domain T686A mutant in complex with SP600125 inhibitor | | Descriptor: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | | Authors: | Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L. | | Deposit date: | 2008-04-16 | | Release date: | 2008-05-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125.
J.Biol.Chem., 283, 2008
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5ECQ
 | | Crystal Structure of FIN219-FIP1 complex with JA, VAL and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | | Authors: | Chen, C.Y, Cheng, Y.S. | | Deposit date: | 2015-10-20 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4G1B
 | | X-ray structure of yeast flavohemoglobin in complex with econazole | | Descriptor: | 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, ... | | Authors: | El Hammi, E, Warkentin, E, Demmer, U, Baciou, L, Ermler, U. | | Deposit date: | 2012-07-10 | | Release date: | 2012-11-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Active site analysis of yeast flavohemoglobin based on its structure with a small ligand or econazole.
Febs J., 279, 2012
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1MTP
 | | The X-ray crystal structure of a serpin from a thermophilic prokaryote | | Descriptor: | Serine Proteinase Inhibitor (SERPIN), Chain A, Chain B | | Authors: | Irving, J.A, Cabrita, L.D, Rossjohn, J, Pike, R.N, Bottomley, S.P, Whisstock, J.C. | | Deposit date: | 2002-09-21 | | Release date: | 2003-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The 1.5 A crystal structure of a prokaryote serpin: controlling conformational change in a heated environment
Structure, 11, 2003
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4ZC6
 | | Crystal Structure of human GGT1 in complex with Serine Borate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Gamma-glutamyltranspeptidase 1 heavy chain, ... | | Authors: | Terzyan, S, Hanigan, M. | | Deposit date: | 2015-04-15 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
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1QYE
 | | Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with 2-chlorodideoxyadenosine | | Descriptor: | 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 2-CHLORODIDEOXYADENOSINE, Endoplasmin | | Authors: | Soldano, K.L, Jivan, A, Nicchitta, C.V, Gewirth, D.T. | | Deposit date: | 2003-09-10 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the N-terminal Domain of GRP94. Basis for Ligand Specificity and Regulation
J.Biol.Chem., 278, 2003
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4J58
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Colliandre, L, Gelin, M, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
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6K9O
 | | Crystal Structure Analysis of Protein | | Descriptor: | Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION | | Authors: | Li, C, Wan, Q. | | Deposit date: | 2019-06-17 | | Release date: | 2020-06-17 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
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6IDV
 | | Peptide Asparaginyl Ligases from Viola yedoensis | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | El Sahili, A, Hu, S, Lescar, J. | | Deposit date: | 2018-09-11 | | Release date: | 2019-05-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural determinants for peptide-bond formation by asparaginyl ligases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6IK8
 | | Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,6-galactobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ... | | Authors: | Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M. | | Deposit date: | 2018-10-15 | | Release date: | 2018-11-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
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9GFH
 | | BCR Fab from the subset 1 chronic lymphocytic leukaemia case P1173 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BCR P1173 heavy chain, ... | | Authors: | Cocomazzi, P.G, Degano, M. | | Deposit date: | 2024-08-09 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Defective cell-autonomous signalling and antigenic polyreactivity of B-cell receptors from chronic lymphocytic leukaemia stereotyped subset 1
To Be Published
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6EO0
 | | Zebrafish Sirt5 in complex with stalled peptidylimidate and bicyclic intermediate of inhibitory compound 29 | | Descriptor: | 1,2-ETHANEDIOL, 3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ... | | Authors: | Pannek, M, Steegborn, C. | | Deposit date: | 2017-10-08 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4JH9
 | | Crystal Structure of FosB from Bacillus cereus with Maganese and Potential BSH-Fosfomycin Product | | Descriptor: | (2R)-2-azanyl-3-[(1R,2S)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid, MANGANESE (II) ION, Metallothiol transferase FosB | | Authors: | Thompson, M.K, Harp, J, Keithly, M.E, Jagessar, K, Cook, P.D, Armstrong, R.N. | | Deposit date: | 2013-03-04 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred by FosB from Bacillus cereus.
Biochemistry, 52, 2013
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1N28
 | | Crystal structure of the H48Q mutant of human group IIA phospholipase A2 | | Descriptor: | CALCIUM ION, Phospholipase A2, membrane associated | | Authors: | Edwards, S.H, Thompson, D, Baker, S.F, Wood, S.P, Wilton, D.C. | | Deposit date: | 2002-10-22 | | Release date: | 2003-10-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of the H48Q active site mutant of human group IIA secreted phospholipase A2 at 1.5 A resolution provides an insight into the catalytic mechanism
Biochemistry, 41, 2002
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1N4N
 | | Structure of the Plant Defensin PhD1 from Petunia Hybrida | | Descriptor: | floral defensin-like protein 1 | | Authors: | Janssen, B.J.C, Schirra, H.J, Lay, F.T, Anderson, M.A, Craik, D.J. | | Deposit date: | 2002-11-01 | | Release date: | 2003-11-01 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Structure of Petunia hybrida defensin 1, a novel plant defensin with five disulfide bonds
Biochemistry, 42, 2003
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5GM5
 | | Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellobiose | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoglucanase-1, SULFATE ION, ... | | Authors: | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2016-07-12 | | Release date: | 2017-05-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
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