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6DDG
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BU of 6ddg by Molmil
Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-6
分子名称: 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ...
著者Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T.
登録日2018-05-10
公開日2019-03-20
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria.
ChemMedChem, 14, 2019
4QTL
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BU of 4qtl by Molmil
Crystal structure of human carbonic anhydrase isozyme II with inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-07-08
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
7QRX
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BU of 7qrx by Molmil
Crystal structure of NHL domain of TRIM71
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM71
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-01-12
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
7QRV
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BU of 7qrv by Molmil
Crystal structure of NHL domain of TRIM2 (full C-terminal)
分子名称: 1,2-ETHANEDIOL, Tripartite motif-containing protein 2
著者Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-01-12
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
6UCC
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BU of 6ucc by Molmil
Structure of human PACRG-MEIG1 complex (limited proteolysis)
分子名称: DI(HYDROXYETHYL)ETHER, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ...
著者Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F.
登録日2019-09-16
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
6DWM
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BU of 6dwm by Molmil
Structure of Human Cytochrome P450 1A1 with Bergamottin
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ...
著者Bart, A.G, Scott, E.E.
登録日2018-06-26
公開日2018-10-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
6DJI
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BU of 6dji by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ522
分子名称: 1,2-ETHANEDIOL, 3-hydroxybenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
8T9D
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BU of 8t9d by Molmil
CryoEM structure of TR-TRAP
分子名称: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
著者Zhao, H, Asturias, F.
登録日2023-06-23
公開日2024-07-03
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.66 Å)
主引用文献An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II.
Mol.Cell, 84, 2024
6UMQ
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BU of 6umq by Molmil
Structure of DUF89
分子名称: Damage-control phosphatase DUF89, MAGNESIUM ION
著者Perry, J.J, Kenjic, N, Dennis, T.N.
登録日2019-10-10
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Human ARMT1 structure and substrate specificity indicates that it is a DUF89 family damage-control phosphatase.
J.Struct.Biol., 212, 2020
4ORC
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BU of 4orc by Molmil
Crystal structure of mammalian calcineurin
分子名称: CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ...
著者Ma, L, Li, S.J, Wang, J, Wu, J.W, Wang, Z.X.
登録日2014-02-11
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cooperative autoinhibition and multi-level activation mechanisms of calcineurin
To be Published
6W7V
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BU of 6w7v by Molmil
Structure of rabbit actin in complex with truncated analog of Mycalolide B
分子名称: (1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate, 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Allingham, J.S, Deng, X, Trofimova, D.
登録日2020-03-19
公開日2020-10-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Truncated Actin-Targeting Macrolide Derivative Blocks Cancer Cell Motility and Invasion of Extracellular Matrix.
J.Am.Chem.Soc., 143, 2021
7TTK
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BU of 7ttk by Molmil
Stable-5-LOX
分子名称: Arachidonate 5-lipoxygenase, FE (II) ION
著者Gilbert, N.C, Newcomer, M.E.
登録日2022-02-01
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Stable-5-LOX "closed"
To Be Published
5C0N
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BU of 5c0n by Molmil
Development of a monoclonal antibody targeting secreted aP2 to treat diabetes and fatty liver disease
分子名称: Fab CA33 Heavy chain, Fab CA33 light chain, Fatty acid-binding protein, ...
著者Doyle, C.
登録日2015-06-12
公開日2015-06-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Development of a therapeutic monoclonal antibody that targets secreted fatty acid-binding protein aP2 to treat type 2 diabetes.
Sci Transl Med, 7, 2015
6VOH
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BU of 6voh by Molmil
Chloroplast ATP synthase (O1, CF1FO)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ...
著者Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
登録日2020-01-30
公開日2020-09-09
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
6DQV
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BU of 6dqv by Molmil
Class 2 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION
著者Hite, R.K, Paknejad, N.
登録日2018-06-11
公開日2018-08-01
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
4ZS2
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BU of 4zs2 by Molmil
Structural complex of FTO/fluorescein
分子名称: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase FTO, ...
著者Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X.
登録日2015-05-13
公開日2015-11-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein
J.Am.Chem.Soc., 137, 2015
7PF1
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BU of 7pf1 by Molmil
UVC treated Human apoferritin
分子名称: CHLORIDE ION, Ferritin heavy chain, N-terminally processed, ...
著者Renault, L, Depelteau, J.S, Briegel, A.
登録日2021-08-11
公開日2022-01-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献UVC inactivation of pathogenic samples suitable for cryo-EM analysis.
Commun Biol, 5, 2022
7P1K
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BU of 7p1k by Molmil
Cryo EM structure of bison NHA2 in nano disc structure
分子名称: CHOLESTEROL HEMISUCCINATE, Phosphatidylinositol, mitochondrial sodium/hydrogen exchanger 9B2
著者Matsuoka, R, Fudim, R, Jung, S, Drew, D.
登録日2021-07-01
公開日2022-01-26
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
7P1J
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BU of 7p1j by Molmil
Cryo EM structure of bison NHA2 in detergent structure
分子名称: mitochondrial sodium/hydrogen exchanger 9B2
著者Matsuoka, R, Fudim, R, Jung, S, Drew, D.
登録日2021-07-01
公開日2022-01-26
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
6DWN
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BU of 6dwn by Molmil
Structure of Human Cytochrome P450 1A1 with Erlotinib
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bart, A.G, Scott, E.E.
登録日2018-06-26
公開日2018-10-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
4OBA
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BU of 4oba by Molmil
Co-crystal structure of MDM2 with Inhibitor Compound 4
分子名称: E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-07
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 57, 2014
7P1I
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BU of 7p1i by Molmil
Cryo EM structure of bison NHA2 in detergent and N-terminal extension helix
分子名称: mitochondrial sodium/hydrogen exchanger 9B2
著者Matsuoka, R, Fudim, R, Jung, S, Drew, D.
登録日2021-07-01
公開日2022-01-26
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
6VVE
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BU of 6vve by Molmil
Legionella pneumophila Lpg2603 kinase bound to IP6, Mn2+, and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Dot/Icm T4SS effector, INOSITOL HEXAKISPHOSPHATE, ...
著者Tomchick, D.R, Tagliabracci, V.S, Park, B.C.
登録日2020-02-17
公開日2020-04-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献ALegionellaeffector kinase is activated by host inositol hexakisphosphate.
J.Biol.Chem., 295, 2020
4OCC
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BU of 4occ by Molmil
co-crystal structure of MDM2(17-111) in complex with compound 48
分子名称: E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
著者Huang, X.
登録日2014-01-08
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
6DIC
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BU of 6dic by Molmil
D276G DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog
分子名称: 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, CHLORIDE ION, ...
著者Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A.
登録日2018-05-23
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019

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