5C83
 
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | | Descriptor: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-25 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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7QOV
 | | The wild type nitrile hydratase from Geobacillus pallidus | | Descriptor: | CHLORIDE ION, COBALT (III) ION, Nitrile hydratase, ... | | Authors: | Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T. | | Deposit date: | 2021-12-29 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Engineering enhanced thermostability into the Geobacillus pallidus nitrile hydratase.
Curr Res Struct Biol, 4, 2022
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6UBT
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5G1L
 | | A double mutant of DsbG engineered for denitrosylation | | Descriptor: | SULFATE ION, THIOL DISULFIDE INTERCHANGE PROTEIN DSBG | | Authors: | Tamu Dufe, V, Van Molle, I, Lafaye, C, Wahni, K, Boudier, A, Leroy, P, Collet, J.F, Messens, J. | | Deposit date: | 2016-03-28 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Sulfur Denitrosylation by an Engineered Trx-Like Dsbg Enzyme Identifies Nucleophilic Cysteine Hydrogen Bonds as Key Functional Determinant.
J.Biol.Chem., 291, 2016
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4XCX
 | | METHYLTRANSFERASE DOMAIN OF SMALL RNA 2'-O-METHYLTRANSFERASE | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, Small RNA 2'-O-methyltransferase | | Authors: | Walker, J.R, Zeng, H, Dong, A, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-18 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal structure of human C1ORF59 in complex with SAH
To be published
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8TG5
 | | tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with branched 2'-PO4 RNA | | Descriptor: | (2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name), CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | | Deposit date: | 2023-07-12 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3KW4
 | | Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine | | Descriptor: | 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | | Authors: | Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R. | | Deposit date: | 2009-11-30 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
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5WY1
 | | Crystal structure of mouse DNA methyltransferase 1 (T1505A mutant) | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, ZINC ION | | Authors: | Kanada, K, Takeshita, K, Suetake, I, Tajima, S, Nakagawa, A. | | Deposit date: | 2017-01-10 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.27 Å) | | Cite: | Conserved threonine 1505 in the catalytic domain stabilizes mouse DNA methyltransferase 1
J. Biochem., 162, 2017
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7QOY
 | | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability | | Descriptor: | CHLORIDE ION, COBALT (III) ION, Nitrile hydratase, ... | | Authors: | Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T. | | Deposit date: | 2021-12-29 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
To be published
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5CAC
 | | REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | CARBONIC ANHYDRASE FORM C, SULFITE ION, ZINC ION | | Authors: | Lindahl, M, Habash, D, Harrop, S, Helliwell, D.R, Liljas, A. | | Deposit date: | 1991-09-05 | | Release date: | 1994-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Refined structure of human carbonic anhydrase II at 2.0 A resolution.
Proteins, 4, 1988
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5CAJ
 | | Crystal structure of E. coli YaaA, a member of the DUF328/UPF0246 family | | Descriptor: | BENZAMIDINE, CHLORIDE ION, UPF0246 protein YaaA | | Authors: | Prahlad, J, Lin, J, Wilson, M.A. | | Deposit date: | 2015-06-29 | | Release date: | 2016-02-24 | | Last modified: | 2020-10-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The DUF328 family member YaaA is a DNA-binding protein with a novel fold.
J.Biol.Chem., 295, 2020
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6DYB
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6RYV
 | | Copper oxidase from Colletotrichum graminicola | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Kelch domain-containing protein, ... | | Authors: | Offen, W.A, Henrissat, B, Davies, G.J. | | Deposit date: | 2019-06-12 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing
Acs Catalysis, 2020
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6ADV
 | | Crystal Structure Analysis of the duplex containing the S2T(2',4'-BNA/LNA)G mismatch pairs | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(9V9)P*GP*CP*G)-3' | | Authors: | Aoyama, H.A, Habuchi, T.H, Yamaguchi, T.Y, Obika, S.O. | | Deposit date: | 2018-08-02 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Hybridization and Mismatch Discrimination Abilities of 2',4'-Bridged Nucleic Acids Bearing 2-Thiothymine or 2-Selenothymine Nucleobase.
J. Org. Chem., 84, 2019
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4XBB
 | | 1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | | Descriptor: | 3C-LIKE PROTEASE, SULFATE ION, diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | | Deposit date: | 2014-12-16 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
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5G52
 | | Crystallographic structure of full particle of Deformed Wing Virus | | Descriptor: | URIDINE-5'-MONOPHOSPHATE, VP1, VP2, ... | | Authors: | Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P. | | Deposit date: | 2016-05-18 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.802 Å) | | Cite: | Structure of deformed wing virus, a major honey bee pathogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4XFX
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6DZD
 | | Crystal structure of Bacillus licheniformis hypothetical protein YfiH | | Descriptor: | CHLORIDE ION, POTASSIUM ION, SODIUM ION, ... | | Authors: | Almeida, L.R, Grejo, M.P, Mulinari, E.J, Santos, J.C, Camargo, S, Bernardes, A, Muniz, J.R.C. | | Deposit date: | 2018-07-03 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Crystal structure of Bacillus licheniformis hypothetical protein YfiH
To Be Published
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4XCC
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6E16
 | | Ternary structure of c-Myc-TBP-TAF1 | | Descriptor: | Transcription initiation factor TFIID subunit 1,Myc proto-oncogene protein,TATA-box-binding protein | | Authors: | Wei, Y, Dong, A, Sunnerhagen, M, Penn, L, Tong, Y, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-07-09 | | Release date: | 2019-10-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Multiple direct interactions of TBP with the MYC oncoprotein.
Nat.Struct.Mol.Biol., 26, 2019
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5K01
 | | Crystal Structure of COMT in complex with 2,7-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine | | Descriptor: | 2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.383 Å) | | Cite: | Crystal Structure of COMT
To Be Published
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3L21
 | | The crystal structure of a dimeric mutant of dihydrodipicolinate synthase (DAPA, RV2753C) from Mycobacterium Tuberculosis - DHDPS-A204R | | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Evans, G.L, Schuldt, L, Jamerson, G.B, Devenish, S.R, Weiss, M.S, Gerrard, J.A. | | Deposit date: | 2009-12-14 | | Release date: | 2010-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A dimeric mutant of DHDPS from Mycobacterium tuberculosis
To be Published
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3L4K
 | | Topoisomerase II-DNA cleavage complex, metal-bound | | Descriptor: | 3'-THIO-THYMIDINE-5'-PHOSPHATE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*CP*GP*TP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*TP*AP*GP*CP*AP*GP*TP*AP*GP*G)-3'), ... | | Authors: | Schmidt, B.H, Burgin, A.B, Deweese, J.E, Osheroff, N, Berger, J.M. | | Deposit date: | 2009-12-20 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | A novel and unified two-metal mechanism for DNA cleavage by type II and IA topoisomerases.
Nature, 465, 2010
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5CFN
 | | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3',3' c-di-AMP, c[A(3',5')pA(3',5')p] | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of Interferon Genes | | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | | Deposit date: | 2015-07-08 | | Release date: | 2015-08-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
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4XHC
 | | rhamnosidase from Klebsiella oxytoca with rhamnose bound | | Descriptor: | Alpha-L-rhamnosidase, SULFATE ION, alpha-L-rhamnopyranose | | Authors: | O'Neill, E.O, Stevenson, C.E.M, Patterson, M.J, Rejzek, M, Chauvin, A, Lawson, D.M, Field, R.A. | | Deposit date: | 2015-01-05 | | Release date: | 2015-04-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of a novel two domain GH78 family alpha-rhamnosidase from Klebsiella oxytoca with rhamnose bound.
Proteins, 83, 2015
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