5K9G
 
 | | Crystal Structure of GTP Cyclohydrolase-IB with Tris | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | | Authors: | Alvarez, J, Stec, B, Swairjo, M.A. | | Deposit date: | 2016-05-31 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism and catalytic strategy of the prokaryotic-specific GTP cyclohydrolase-IB.
Biochem.J., 474, 2017
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3CVA
 | | Human Bcl-xL containing a Trp to Ala mutation at position 137 | | Descriptor: | Apoptosis regulator Bcl-X | | Authors: | Feng, Y, Zhang, L, Hu, T, Shen, X, Chen, K, Jiang, H, Liu, D. | | Deposit date: | 2008-04-18 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A conserved hydrophobic core at Bcl-x(L) mediates its structural stability and binding affinity with BH3-domain peptide of pro-apoptotic protein
Arch.Biochem.Biophys., 484, 2009
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3CVF
 | | Crystal Structure of the carboxy terminus of Homer3 | | Descriptor: | Homer protein homolog 3 | | Authors: | Hayashi, M.K, Stearns, M.H, Giannini, V, Xu, R.-M, Sala, C, Hayashi, Y. | | Deposit date: | 2008-04-18 | | Release date: | 2009-03-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The postsynaptic density proteins Homer and Shank form a polymeric network structure.
Cell(Cambridge,Mass.), 137, 2009
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3CVQ
 | | Structure of Peroxisomal Targeting Signal 1 (PTS1) binding domain of Trypanosoma brucei Peroxin 5 (TbPEX5)complexed to PTS1 peptide (7-SKL) | | Descriptor: | GLYCEROL, PTS1 peptide 7-SKL (Ac-SNRWSKL), Peroxisome targeting signal 1 receptor PEX5 | | Authors: | Sampathkumar, P, Roach, C, Michels, P.A.M, Hol, W.G.J. | | Deposit date: | 2008-04-18 | | Release date: | 2008-06-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structural Insights into the recognition of peroxisomal targeting signal 1 by Trypanosoma brucei peroxin 5.
J.Mol.Biol., 381, 2008
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6IHH
 | | Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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5K8D
 | | Crystal structure of rFVIIIFc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ... | | Authors: | Leksa, N, Quan, C. | | Deposit date: | 2016-05-29 | | Release date: | 2017-06-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (4.19 Å) | | Cite: | The structural basis for the functional comparability of factor VIII and the long-acting variant recombinant factor VIII Fc fusion protein.
J. Thromb. Haemost., 15, 2017
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3CW9
 | | 4-Chlorobenzoyl-CoA Ligase/Synthetase in the Thioester-forming Conformation, bound to 4-chlorophenacyl-CoA | | Descriptor: | 1,2-ETHANEDIOL, 4-Chlorophenacyl-coenzyme A, 4-chlorobenzoyl CoA ligase, ... | | Authors: | Reger, A.S, Cao, J, Wu, R, Dunaway-Mariano, D, Gulick, A.M. | | Deposit date: | 2008-04-21 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase.
Biochemistry, 47, 2008
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3CWR
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4OZA
 | | Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Gln32, beta-3-Asp36 | | Descriptor: | ISOPROPYL ALCOHOL, Streptococcal Protein GB1 Backbone Modified Variant: beta-3-Ala24, beta-3-Lys28, ... | | Authors: | Reinert, Z.E, Horne, W.S. | | Deposit date: | 2014-02-14 | | Release date: | 2014-07-16 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Folding Thermodynamics of Protein-Like Oligomers with Heterogeneous Backbones.
Chem Sci, 5, 2014
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8STH
 | | human STING with diABZI agonist 15 | | Descriptor: | 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein | | Authors: | Duvall, J.R, Bukhalid, R.A. | | Deposit date: | 2023-05-10 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
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3CX9
 | | Crystal Structure of Human serum albumin complexed with Myristic acid and lysophosphatidylethanolamine | | Descriptor: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, MYRISTIC ACID, Serum albumin | | Authors: | Guo, S, Yang, F, Chen, L, Bian, C, Huang, M. | | Deposit date: | 2008-04-24 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of transport of lysophospholipids by human serum albumin.
Biochem.J., 423, 2009
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5KCO
 | | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy | | Descriptor: | DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-06 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
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8S99
 | | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | | Descriptor: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2023-03-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
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3CXP
 | | Crystal structure of human glucosamine 6-phosphate N-acetyltransferase 1 mutant E156A | | Descriptor: | CHLORIDE ION, Glucosamine 6-phosphate N-acetyltransferase | | Authors: | Wang, J, Liu, X, Li, L.-F, Su, X.-D. | | Deposit date: | 2008-04-25 | | Release date: | 2008-09-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Acceptor substrate binding revealed by crystal structure of human glucosamine-6-phosphate N-acetyltransferase 1
Febs Lett., 582, 2008
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7SF1
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1001 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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3CXW
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I | | Descriptor: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Pimtide peptide, ... | | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
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3CXZ
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3CZ1
 | | Dimeric crystal structure of a pheromone binding protein from Apis mellifera in complex with the n-butyl benzene sulfonamide at pH 7.0 | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | | Deposit date: | 2008-04-27 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
J.Mol.Biol., 390, 2009
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5KDW
 | | IMPa metallopeptidase from Pseudomonas aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, Metallopeptidase, PHOSPHATE ION, ... | | Authors: | Noach, I, Boraston, A.B. | | Deposit date: | 2016-06-08 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6DZ2
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ... | | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2018-07-02 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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3CYN
 | | The structure of human GPX8 | | Descriptor: | GLYCEROL, Probable glutathione peroxidase 8, SULFATE ION | | Authors: | Kavanagh, K.L, Johansson, C, Yue, W.W, Kochan, G, Pike, A.C.W, Murray, J, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-25 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of human GPX8
To be Published
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6DZQ
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ... | | Authors: | Dick, B.L, Morrison, C.N, Cohen, S.M. | | Deposit date: | 2018-07-05 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
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3CZ3
 | | Crystal structure of Tomato Aspermy Virus 2b in complex with siRNA | | Descriptor: | Protein 2b, RNA (5'-R(P*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*A)-3'), RNA (5'-R(P*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*G)-3') | | Authors: | Ma, J.B, Li, F, Ding, S.W, Patel, D.J. | | Deposit date: | 2008-04-27 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Structural Basis for siRNA Recognition by 2b, a Viral Suppressor of Non-Cell Autonomous RNA Silencing
To be Published
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6IMP
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3CZN
 | | Golgi alpha-mannosidase II (D204A nucleophile mutant) in complex with GnMan5Gn | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Alpha-mannosidase 2, ... | | Authors: | Shah, N, Rose, D.R. | | Deposit date: | 2008-04-29 | | Release date: | 2008-06-24 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Golgi alpha-mannosidase II cleaves two sugars sequentially in the same catalytic site.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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