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8AYJ
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Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiens complexed with 3-aminooxypropionic acid
Descriptor: 1,2-ETHANEDIOL, 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV, ...
Authors:Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Popov, V.O, Bezsudnova, E.Y.
Deposit date:2022-09-02
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Biochem.J., 480, 2023
1U3A
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BU of 1u3a by Molmil
mutant DsbA
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Thiol: disulfide interchange protein dsbA
Authors:Serre, L.
Deposit date:2004-07-21
Release date:2005-05-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intriguing conformation changes associated with the trans/cis isomerization of a prolyl residue in the active site of the DsbA C33A mutant
J.Mol.Biol., 347, 2005
8BBM
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BU of 8bbm by Molmil
DNA binding domain of J-DNA Binding Protein 1 (JBP1)
Descriptor: Thymine dioxygenase JBP1
Authors:de Vries, I, Joosten, R.P, Perrakis, A.
Deposit date:2022-10-13
Release date:2022-11-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Distant sequence regions of JBP1 contribute to J-DNA binding.
Life Sci Alliance, 6, 2023
1U3J
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BU of 1u3j by Molmil
Crystal structure of MLAV mutant of dimerisation domain of NF-kB p50 transcription factor
Descriptor: Nuclear factor NF-kappa-B p105 subunit
Authors:Chirgadze, D.Y, Demydchuk, M, Becker, M, Moran, S, Paoli, M.
Deposit date:2004-07-22
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Snapshot of Protein Structure Evolution Reveals Conservation of Functional Dimerization through Intertwined Folding
Structure, 12, 2004
8AXP
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BU of 8axp by Molmil
Neisseria gonorrhoeae peptidyl-tRNA hydrolase complexed with an XChem hit.
Descriptor: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, Peptidyl-tRNA hydrolase, SULFATE ION
Authors:Roe, S.M, Fearon, D.
Deposit date:2022-08-31
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction.
Org.Lett., 24, 2022
1U3P
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IspF native
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
Authors:Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F.
Deposit date:2004-07-22
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids
J.Mol.Biol., 316, 2002
8B7S
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BU of 8b7s by Molmil
Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp
Descriptor: Chloramphenicol-inactivating oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Zhang, L, Toplak, M, Saleem-Batcha, R, Hoeing, L, Jakob, R.P, Jehmlich, N, von Bergen, M, Maier, T, Teufel, R.
Deposit date:2022-10-03
Release date:2022-11-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol.
Chembiochem, 24, 2023
3SHV
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BU of 3shv by Molmil
Crystal structure of human MCPH1 tandem BRCT domains-gamma H2AX complex
Descriptor: Histone H2A.x, Microcephalin
Authors:Shao, Z.H, Li, F.D, Yan, W.
Deposit date:2011-06-17
Release date:2011-12-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Specific recognition of phosphorylated tail of H2AX by the tandem BRCT domains of MCPH1 revealed by complex structure
J.Struct.Biol., 177, 2012
8BB4
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BU of 8bb4 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with C3 linker
Descriptor: Elongin-B, Elongin-C, WD repeat-containing protein 5, ...
Authors:Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
1TV4
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BU of 1tv4 by Molmil
Crystal structure of the sulfite MtmB complex
Descriptor: 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1, SULFATE ION
Authors:Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K.
Deposit date:2004-06-26
Release date:2004-10-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
8BFD
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BU of 8bfd by Molmil
Racemic structure of PK-7 (310HD-U2U5)
Descriptor: 310HD-U2U5, D-310HD-U2U5, DI(HYDROXYETHYL)ETHER, ...
Authors:Kumar, P, Paterson, N.G, Woolfson, D.N.
Deposit date:2022-10-25
Release date:2022-11-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
1TV8
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Structure of MoaA in complex with S-adenosylmethionine
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, IRON/SULFUR CLUSTER, Molybdenum cofactor biosynthesis protein A, ...
Authors:Haenzelmann, P, Schindelin, H.
Deposit date:2004-06-28
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the S-adenosylmethionine-dependent enzyme MoaA and its implications for molybdenum cofactor deficiency in humans.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1TVE
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BU of 1tve by Molmil
Homoserine Dehydrogenase in complex with 4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol
Descriptor: 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-2-ISOPROPYLPHENOL, Homoserine dehydrogenase
Authors:Ejim, L, Mirza, I.A, Capone, C, Nazi, I, Jenkins, S, Chee, G.L, Berghuis, A.M, Wright, G.D.
Deposit date:2004-06-29
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:New phenolic inhibitors of yeast homoserine dehydrogenase
Bioorg.Med.Chem., 12, 2004
8B7J
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BU of 8b7j by Molmil
Human HSP90 alpha ATP Binding Domain, ATP-lid closed conformation, R46A
Descriptor: HSP90AA1 protein
Authors:Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brustcher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J.
Deposit date:2022-09-30
Release date:2022-11-16
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Visualizing the transiently populated closed-state of human HSP90 ATP binding domain.
Nat Commun, 13, 2022
8B7I
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BU of 8b7i by Molmil
Human HSP90 alpha ATP Binding Domain, ATP-lid open conformation, R60A
Descriptor: HSP90AA1 protein
Authors:Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brutscher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J.
Deposit date:2022-09-30
Release date:2022-11-16
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Visualizing the transiently populated closed-state of human HSP90 ATP binding domain.
Nat Commun, 13, 2022
1U3W
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BU of 1u3w by Molmil
Crystal Structure of Human Alcohol Dehydrogenase Gamma-2-Gamma-2 Isoform Complexed with N-1-Methylheptylformamide Determined to 1.45 Angstrom Resolution
Descriptor: 1-METHYLHEPTYLFORMAMIDE, Alcohol dehydrogenase gamma chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Gibbons, B.J, Hurley, T.D.
Deposit date:2004-07-23
Release date:2004-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of three class I human alcohol dehydrogenases complexed with isoenzyme specific formamide inhibitors
Biochemistry, 43, 2004
1U4G
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BU of 1u4g by Molmil
Elastase of Pseudomonas aeruginosa with an inhibitor
Descriptor: CALCIUM ION, Elastase, N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-ALPHA-ASPARAGINE, ...
Authors:Bitto, E, McKay, D.B.
Deposit date:2004-07-25
Release date:2004-08-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Elastase of Pseudomonas aeruginosa with an inhibitor
To be Published, 2004
8AYK
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BU of 8ayk by Molmil
Crystal structure of D-amino acid aminotrensferase from Aminobacterium colombiense complexed with D-glutamate
Descriptor: (~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pent-2-enedioic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase class IV
Authors:Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y.
Deposit date:2022-09-02
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:To the Understanding of Catalysis by D-Amino Acid Transaminases: A Case Study of the Enzyme from Aminobacterium colombiense.
Molecules, 28, 2023
1U54
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BU of 1u54 by Molmil
Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-associated Tyrosine Kinase ACK1 bound to AMP-PCP
Descriptor: Activated CDC42 kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Lougheed, J.C, Chen, R.H, Mak, P, Stout, T.J.
Deposit date:2004-07-26
Release date:2004-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the Cdc42-associated Tyrosine Kinase ACK1.
J.Biol.Chem., 279, 2004
8BK0
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BU of 8bk0 by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide
Authors:Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2022-11-08
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
To Be Published
1TW0
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BU of 1tw0 by Molmil
Native crystal structure of SPE16
Descriptor: pathogenesis-related class 10 protein SPE-16
Authors:Wu, F, Wei, Z, Zhou, Z, Gong, W.
Deposit date:2004-06-30
Release date:2005-10-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Native crystal structure of SPE16
to be published
3SI2
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BU of 3si2 by Molmil
Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150)
Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Parthier, C, Carrillo, D, Stubbs, M.T.
Deposit date:2011-06-17
Release date:2011-06-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center.
Biochemistry, 50, 2011
8BIN
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BU of 8bin by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
Authors:Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2022-11-02
Release date:2022-11-23
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
1TWZ
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BU of 1twz by Molmil
Dihydropteroate Synthetase, With Bound Substrate Analogue PtP, From Bacillus anthracis
Descriptor: DHPS, Dihydropteroate synthase, PTERIN-6-YL-METHYL-MONOPHOSPHATE, ...
Authors:Babaoglu, K, Qi, J, Lee, R.L, White, S.W.
Deposit date:2004-07-01
Release date:2004-09-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design.
STRUCTURE, 12, 2004
3SIW
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BU of 3siw by Molmil
Crystal structure of NodZ alpha-1,6-fucosyltransferase co-crystallized with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Nodulation fucosyltransferase NodZ, PHOSPHATE ION
Authors:Brzezinski, K, Dauter, Z, Jaskolski, M.
Deposit date:2011-06-20
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of NodZ alpha-1,6-fucosyltransferase in complex with GDP and GDP-fucose
Acta Crystallogr.,Sect.D, 68, 2012

238582

數據於2025-07-09公開中

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