7MDN
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![BU of 7mdn by Molmil](/molmil-images/mine/7mdn) | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a | Descriptor: | Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide | Authors: | Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2021-04-05 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization. Nat.Chem.Biol., 18, 2022
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7WWF
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![BU of 7wwf by Molmil](/molmil-images/mine/7wwf) | Crystal structure of BioH3 from Mycolicibacterium smegmatis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Esterase | Authors: | Yang, J, Xu, Y.C, Gan, J.H, Feng, Y.J. | Deposit date: | 2022-02-12 | Release date: | 2022-07-06 | Last modified: | 2023-01-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Three enigmatic BioH isoenzymes are programmed in the early stage of mycobacterial biotin synthesis, an attractive anti-TB drug target. Plos Pathog., 18, 2022
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7XLB
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![BU of 7xlb by Molmil](/molmil-images/mine/7xlb) | |
7KDT
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![BU of 7kdt by Molmil](/molmil-images/mine/7kdt) | |
8BA5
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![BU of 8ba5 by Molmil](/molmil-images/mine/8ba5) | Crystal structure of the DNMT3A ADD domain | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, MAGNESIUM ION, ... | Authors: | Linhard, V, Kunert, S, Wollenhaupt, J, Broehm, A, Schwalbe, H, Jeltsch, A. | Deposit date: | 2022-10-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The MECP2-TRD domain interacts with the DNMT3A-ADD domain at the H3-tail binding site. Protein Sci., 32, 2023
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6M1J
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![BU of 6m1j by Molmil](/molmil-images/mine/6m1j) | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | Descriptor: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2020-02-26 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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6U3E
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![BU of 6u3e by Molmil](/molmil-images/mine/6u3e) | |
8AYV
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![BU of 8ayv by Molmil](/molmil-images/mine/8ayv) | |
4NCZ
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![BU of 4ncz by Molmil](/molmil-images/mine/4ncz) | Spermidine N-acetyltransferase from Vibrio cholerae in complex with 2-[n-cyclohexylamino]ethane sulfonate. | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, SODIUM ION, ... | Authors: | Osipiuk, J, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-10-25 | Release date: | 2013-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure. J.Mol.Biol., 427, 2015
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5HEC
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![BU of 5hec by Molmil](/molmil-images/mine/5hec) | CgT structure in dimer | Descriptor: | Putative glycosyltransferase (GalT1) | Authors: | Zhang, H, Wu, H. | Deposit date: | 2016-01-05 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | New Helical Binding Domain Mediates a Glycosyltransferase Activity of a Bifunctional Protein. J.Biol.Chem., 291, 2016
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6M1S
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![BU of 6m1s by Molmil](/molmil-images/mine/6m1s) | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2020-02-26 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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6XCG
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![BU of 6xcg by Molmil](/molmil-images/mine/6xcg) | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934 | Descriptor: | Histone-lysine N-methyltransferase NSD2, N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide, UNKNOWN ATOM OR ION | Authors: | Zhou, M.Q, Dong, A, Ingerman, L.A, Hanley, R.P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-08 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization. Nat.Chem.Biol., 18, 2022
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6OQA
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![BU of 6oqa by Molmil](/molmil-images/mine/6oqa) | Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product | Descriptor: | (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | Authors: | Lee, S.-J, Shigdel, U.K, Townson, S.A, Verdine, G.L. | Deposit date: | 2019-04-26 | Release date: | 2020-04-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Genomic discovery of an evolutionarily programmed modality for small-molecule targeting of an intractable protein surface. Proc.Natl.Acad.Sci.USA, 117, 2020
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6PU9
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![BU of 6pu9 by Molmil](/molmil-images/mine/6pu9) | Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase, CHLORIDE ION | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-07-17 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species. Protein Sci., 29, 2020
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6PUA
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![BU of 6pua by Molmil](/molmil-images/mine/6pua) | The 2.0 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Kim, Y, Maltseva, N, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-07-18 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species. Protein Sci., 29, 2020
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8C4Y
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![BU of 8c4y by Molmil](/molmil-images/mine/8c4y) | SFX structure of FutA bound to Fe(III) | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-01-05 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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6NFN
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![BU of 6nfn by Molmil](/molmil-images/mine/6nfn) | Fab fragment of anti-cocaine antibody h2E2 bound to benzoylecgonine | Descriptor: | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pokkuluri, P.R, Tan, K. | Deposit date: | 2018-12-20 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structural analysis of free and liganded forms of the Fab fragment of a high-affinity anti-cocaine antibody, h2E2. Acta Crystallogr.,Sect.F, 75, 2019
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6NEX
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![BU of 6nex by Molmil](/molmil-images/mine/6nex) | Fab fragment of anti-cocaine antibody h2E2 | Descriptor: | ACETATE ION, Anitgen binding fragment light chain, Antigen binding fragment heavy chain, ... | Authors: | Pokkuluri, P.R, Tan, K. | Deposit date: | 2018-12-18 | Release date: | 2019-11-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural analysis of free and liganded forms of the Fab fragment of a high-affinity anti-cocaine antibody, h2E2. Acta Crystallogr.,Sect.F, 75, 2019
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1AK4
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![BU of 1ak4 by Molmil](/molmil-images/mine/1ak4) | HUMAN CYCLOPHILIN A BOUND TO THE AMINO-TERMINAL DOMAIN OF HIV-1 CAPSID | Descriptor: | CYCLOPHILIN A, HIV-1 CAPSID | Authors: | Hill, C.P, Gamble, T.R, Vajdos, F.F, Worthylake, D.K, Sundquist, W.I. | Deposit date: | 1997-05-28 | Release date: | 1997-10-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Crystal structure of human cyclophilin A bound to the amino-terminal domain of HIV-1 capsid. Cell(Cambridge,Mass.), 87, 1996
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1AWR
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![BU of 1awr by Molmil](/molmil-images/mine/1awr) | CYPA COMPLEXED WITH HAGPIA | Descriptor: | CYCLOPHILIN A, PEPTIDE FROM THE HIV-1 CAPSID PROTEIN | Authors: | Vajdos, F.F. | Deposit date: | 1997-10-04 | Release date: | 1998-03-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of cyclophilin A complexed with a binding site peptide from the HIV-1 capsid protein. Protein Sci., 6, 1997
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7MWI
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![BU of 7mwi by Molmil](/molmil-images/mine/7mwi) | Crystal structure of human BAZ2A | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, UNKNOWN ATOM OR ION | Authors: | Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2021-05-17 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status. J.Biol.Chem., 297, 2021
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8OEI
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![BU of 8oei by Molmil](/molmil-images/mine/8oei) | SFX structure of FutA after an accumulated dose of 350 kGy | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-03-10 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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8OEM
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![BU of 8oem by Molmil](/molmil-images/mine/8oem) | Crystal structure of FutA bound to Fe(II) | Descriptor: | FE (II) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-03-10 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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8OGG
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![BU of 8ogg by Molmil](/molmil-images/mine/8ogg) | Crystal structure of FutA after an accumulated dose of 5 kGy | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-03-20 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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6BPH
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![BU of 6bph by Molmil](/molmil-images/mine/6bph) | Crystal structure of the chromodomain of RBBP1 | Descriptor: | AT-rich interactive domain-containing protein 4A, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-23 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of chromo barrel domain of RBBP1. Biochem. Biophys. Res. Commun., 496, 2018
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