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8HKJ
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BU of 8hkj by Molmil
Crystal structure of the CYP102A5 haem Domain isolated from Bacillus cereus
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE
Authors:Stanfield, J.K, Onoda, H, Sugimoto, H, Shoji, O.
Deposit date:2022-11-27
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Investigating the applicability of the CYP102A1-decoy-molecule system to other members of the CYP102A subfamily.
J.Inorg.Biochem., 245, 2023
8HC1
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BU of 8hc1 by Molmil
CryoEM structure of Helicobacter pylori UreFD/urease complex
Descriptor: Urease accessory protein UreF, Urease accessory protein UreH, Urease subunit alpha, ...
Authors:Nim, Y.S, Fong, I.Y.H, Deme, J, Tsang, K.L, Caesar, J, Johnson, S, Wong, K.B, Lea, S.M.
Deposit date:2022-11-01
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Delivering a toxic metal to the active site of urease.
Sci Adv, 9, 2023
5COX
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BU of 5cox by Molmil
UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
5CL6
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BU of 5cl6 by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog or DNA containing an abasic site and a free nucleobase (33% substrate/67% product at 72 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(DZM)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
8HNY
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BU of 8hny by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP
Descriptor: (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ma, B.D, Tian, W, Qu, X, Kong, X.D.
Deposit date:2022-12-09
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HE4
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BU of 8he4 by Molmil
The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici
Descriptor: Chitin deacetylase, ZINC ION, ~{N}-oxidanylnaphthalene-1-carboxamide
Authors:Liu, L, Li, Y.C, Zhou, Y, Yang, Q.
Deposit date:2022-11-07
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
5CEE
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BU of 5cee by Molmil
Malic enzyme from Candidatus Phytoplasma AYWB in complex with NAD and Mg2+
Descriptor: MAGNESIUM ION, NAD-dependent malic enzyme, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Alvarez, C.E, Trajtenberg, F, Larrieux, N, Saigo, M, Mussi, M.A, Andreo, C.S, Drincovich, M.F, Buschiazzo, A.
Deposit date:2015-07-06
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:The crystal structure of the malic enzyme from Candidatus Phytoplasma reveals the minimal structural determinants for a malic enzyme.
Acta Crystallogr D Struct Biol, 74, 2018
8HSL
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BU of 8hsl by Molmil
Thermus thermophilus RNA polymerase bound with an inverted Rho hexamer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ...
Authors:Murayama, Y, Ehara, H, Sekine, S.
Deposit date:2022-12-19
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structural basis of the transcription termination factor Rho engagement with transcribing RNA polymerase from Thermus thermophilus.
Sci Adv, 9, 2023
4YLS
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BU of 4yls by Molmil
Tubulin Glutamylase
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tubulin polyglutamylase TTLL7
Authors:Garnham, C.P, Vemu, A, Wilson-Kubalek, E.M, Yu, I, Szyk, A, Lander, G.C, Milligan, R.A, Roll-Mecak, A.
Deposit date:2015-03-05
Release date:2015-06-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Multivalent Microtubule Recognition by Tubulin Tyrosine Ligase-like Family Glutamylases.
Cell, 161, 2015
6WKR
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BU of 6wkr by Molmil
PRC2-AEBP2-JARID2 bound to H2AK119ub1 nucleosome
Descriptor: DNA (314-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Kasinath, V, Nogales, E, Beck, C, Sauer, P, Poepsel, S, Kosmatka, J, Faini, M, Toso, D, Aebersold, R.
Deposit date:2020-04-16
Release date:2021-02-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:JARID2 and AEBP2 regulate PRC2 in the presence of H2AK119ub1 and other histone modifications.
Science, 371, 2021
8HCN
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BU of 8hcn by Molmil
CryoEM Structure of Klebsiella pneumoniae UreD/urease complex
Descriptor: Urease accessory protein UreD, Urease subunit alpha, Urease subunit beta, ...
Authors:Nim, Y.S, Fong, I.Y.H, Deme, J, Tsang, K.L, Caesar, J, Johnson, S, Wong, K.B, Lea, S.M.
Deposit date:2022-11-02
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Delivering a toxic metal to the active site of urease.
Sci Adv, 9, 2023
5CJE
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BU of 5cje by Molmil
Structure of CYP107L2
Descriptor: Cytochrome P450 hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pham, T.-V, Han, S.-H, Kim, J.-H, Kim, D.-H, Kang, L.-W.
Deposit date:2015-07-14
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of CYP107L2
To Be Published
5CLC
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BU of 5clc by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog (9-mer B)
Descriptor: AlkD, DNA (5'-D(*AP*AP*GP*CP*CP*(DZM)P*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*TP*GP*GP*CP*T)-3')
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
2ZBX
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BU of 2zbx by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (wild type) with imidazole bound
Descriptor: Cytochrome P450-SU1, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T.
Deposit date:2007-10-30
Release date:2008-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3
Biochemistry, 47, 2008
8HE2
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BU of 8he2 by Molmil
The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici
Descriptor: Chitin deacetylase, ZINC ION, tert-butyl N-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate
Authors:Liu, L, Li, Y.C, Zhou, Y, Yang, Q.
Deposit date:2022-11-07
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
6WF2
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BU of 6wf2 by Molmil
Crystal structure of mouse SCD1 with a diiron center
Descriptor: Acyl-CoA desaturase 1, FE (III) ION, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name)
Authors:Shen, J, Zhou, M.
Deposit date:2020-04-03
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Structure and Mechanism of a Unique Diiron Center in Mammalian Stearoyl-CoA Desaturase.
J.Mol.Biol., 432, 2020
6BYJ
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BU of 6byj by Molmil
Structure of human 14-3-3 gamma bound to O-GlcNAc peptide
Descriptor: 14-3-3 protein gamma, 2-acetamido-2-deoxy-beta-D-glucopyranose, TSTTATPPVSQASSTTTSTW O-GlcNac peptide
Authors:Schumacher, M.A.
Deposit date:2017-12-20
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of O-GlcNAc recognition by mammalian 14-3-3 proteins.
Proc.Natl.Acad.Sci.USA, 115, 2018
1FYT
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BU of 1fyt by Molmil
CRYSTAL STRUCTURE OF A COMPLEX OF A HUMAN ALPHA/BETA-T CELL RECEPTOR, INFLUENZA HA ANTIGEN PEPTIDE, AND MHC CLASS II MOLECULE, HLA-DR1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ HA1 PEPTIDE CHAIN, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Hennecke, J, Carfi, A, Wiley, D.C.
Deposit date:2000-10-03
Release date:2000-11-08
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a covalently stabilized complex of a human alphabeta T-cell receptor, influenza HA peptide and MHC class II molecule, HLA-DR1.
EMBO J., 19, 2000
8HE1
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BU of 8he1 by Molmil
The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici
Descriptor: BENZHYDROXAMIC ACID, Chitin deacetylase, ZINC ION
Authors:Liu, L, Li, Y.C, Zhou, Y, Yang, Q.
Deposit date:2022-11-07
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
8HSJ
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BU of 8hsj by Molmil
Thermus thermophilus transcription termination factor Rho bound with ADP-BeF3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Murayama, Y, Ehara, H, Sekine, S.
Deposit date:2022-12-19
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of the transcription termination factor Rho engagement with transcribing RNA polymerase from Thermus thermophilus.
Sci Adv, 9, 2023
4YM6
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BU of 4ym6 by Molmil
Crystal structure of the human nucleosome containing 6-4PP (outside)
Descriptor: 145-MER DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Osakabe, A, Tachiwana, H, Kagawa, W, Horikoshi, N, Matsumoto, S, Hasegawa, M, Matsumoto, N, Toga, T, Yamamoto, J, Hanaoka, F, Thoma, N.H, Sugasawa, K, Iwai, S, Kurumizaka, H.
Deposit date:2015-03-06
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.514 Å)
Cite:Structural basis of pyrimidine-pyrimidone (6-4) photoproduct recognition by UV-DDB in the nucleosome
Sci Rep, 5, 2015
6CCS
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BU of 6ccs by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol
Descriptor: 2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
8HSR
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BU of 8hsr by Molmil
Thermus thermophilus Rho-engaged RNAP elongation complex (composite structure)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (31-MER), ...
Authors:Murayama, Y, Ehara, H, Sekine, S.
Deposit date:2022-12-20
Release date:2023-05-03
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of the transcription termination factor Rho engagement with transcribing RNA polymerase from Thermus thermophilus.
Sci Adv, 9, 2023
8HFA
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BU of 8hfa by Molmil
The structure of chitin deacetylase VdPDA1 from Verticillium dahliae
Descriptor: NodB homology domain-containing protein, ZINC ION
Authors:Liu, L, Zhou, Y, Yang, Q.
Deposit date:2022-11-10
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
6WMN
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BU of 6wmn by Molmil
Human poly-N-acetyl-lactosamine synthase structure demonstrates a modular assembly of catalytic subsites for GT-A glycosyltransferases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Kadirvelraj, R, Wood, Z.A.
Deposit date:2020-04-21
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Comparison of human poly-N-acetyl-lactosamine synthase structure with GT-A fold glycosyltransferases supports a modular assembly of catalytic subsites.
J.Biol.Chem., 296, 2020

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數據於2024-07-17公開中

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