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7OMR
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BU of 7omr by Molmil
Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A variant
分子名称: Coelenterazine h 2-monooxygenase, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
著者Schenkmayerova, A, Marek, M.
登録日2021-05-24
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7P9I
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BU of 7p9i by Molmil
Structure of E.coli RlmJ in complex with an RNA conjugate (GAA-SAM)
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, RNA conjugate (GAA-SAM), Ribosomal RNA large subunit methyltransferase J
著者Meynier, V, Catala, M, Oerum, S, Barraud, P, Tisne, C.
登録日2021-07-27
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.594 Å)
主引用文献Synthesis of RNA-cofactor conjugates and structural exploration of RNA recognition by an m6A RNA methyltransferase.
Nucleic Acids Res., 50, 2022
7OMD
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BU of 7omd by Molmil
Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A
分子名称: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ...
著者Schenkmayerova, A, Janin, Y.L, Marek, M.
登録日2021-05-21
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
4RIL
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BU of 4ril by Molmil
Structure of the amyloid forming segment, GAVVTGVTAVA, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 68-78, determined by electron diffraction
分子名称: Alpha-synuclein
著者Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
登録日2014-10-06
公開日2015-08-26
最終更新日2023-09-20
実験手法ELECTRON CRYSTALLOGRAPHY (1.43 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
8SVE
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BU of 8sve by Molmil
Structure of Monomeric Interleukin-10 Grafted into and Antibody CDR
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Fab Heavy chain, ...
著者DiDonato, M, Spraggon, G.
登録日2023-05-16
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Novel Interleukin-10 Antibody Graft to Treat Inflammatory Bowel Disease.
To Be Published
8G9P
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BU of 8g9p by Molmil
Tricomplex of RMC-4998, KRAS G12C, and CypA
分子名称: (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2023-02-21
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023
5WI4
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BU of 5wi4 by Molmil
CRYSTAL STRUCTURE OF DYNLT1/TCTEX-1 IN COMPLEX WITH ARHGEF2
分子名称: Dynein light chain Tctex-type 1,Rho guanine nucleotide exchange factor 2, SULFATE ION
著者Balan, M, Ishiyama, N, Marshall, C.B, Ikura, M.
登録日2017-07-18
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献MARK3-mediated phosphorylation of ARHGEF2 couples microtubules to the actin cytoskeleton to establish cell polarity.
Sci Signal, 10, 2017
8GCV
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BU of 8gcv by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals
分子名称: Beta-lactamase, PHOSPHATE ION
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCT
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BU of 8gct by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 6 ms
分子名称: Beta-lactamase, PHOSPHATE ION
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCS
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BU of 8gcs by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 ms
分子名称: Beta-lactamase, PHOSPHATE ION
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCX
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BU of 8gcx by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 700 ms
分子名称: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
5H35
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BU of 5h35 by Molmil
Crystal structures of the TRIC trimeric intracellular cation channel orthologue from Sulfolobus solfataricus
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Fab Heavy Chain, Fab Light Chain, ...
著者Kasuya, G, Hiraizumi, M, Hattori, M, Nureki, O.
登録日2016-10-20
公開日2017-01-11
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.642 Å)
主引用文献Crystal structures of the TRIC trimeric intracellular cation channel orthologues
Cell Res., 26, 2016
5WRA
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BU of 5wra by Molmil
Crystal structure of hen egg-white lysozyme
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E.
登録日2016-12-01
公開日2017-12-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Hydroxyethyl cellulose matrix applied to serial crystallography
Sci Rep, 7, 2017
8BO9
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BU of 8bo9 by Molmil
NanoLuc-D9R/H57A/K89R mutant complexed with azacoelenterazine bound in intra-barrel catalytic site
分子名称: 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Non structural polyprotein
著者Marek, M, Janin, L.Y.
登録日2022-11-15
公開日2023-09-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
7P2W
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BU of 7p2w by Molmil
E.coli GyrB24 with inhibitor LMD92 (EBL2682)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ...
著者Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7P2M
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BU of 7p2m by Molmil
E.coli GyrB24 with inhibitor LMD43 (EBL2560)
分子名称: 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION
著者Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
1N27
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BU of 1n27 by Molmil
Solution structure of the PWWP domain of mouse Hepatoma-derived growth factor, related protein 3
分子名称: Hepatoma-derived growth factor, related protein 3
著者Nameki, N, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-10-22
公開日2003-12-23
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the PWWP domain of the hepatoma-derived growth factor family.
Protein Sci., 14, 2005
4RWU
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BU of 4rwu by Molmil
J-domain of Sis1 protein, Hsp40 co-chaperone from Saccharomyces cerevisiae
分子名称: Protein SIS1
著者Osipiuk, J, Zhou, M, Gu, M, Sahi, C, Craig, E.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-12-05
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Roles of intramolecular and intermolecular interactions in functional regulation of the Hsp70 J-protein co-chaperone Sis1.
J.Mol.Biol., 427, 2015
7OYP
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BU of 7oyp by Molmil
Carbonic anhydrase II in complex with Hit3-t1 (MH172)
分子名称: (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide, 4-methylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYN
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BU of 7oyn by Molmil
Carbonic anhydrase II in complex with Hit3 (MH57)
分子名称: Carbonic anhydrase 2, Hit3 (MH57), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYR
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BU of 7oyr by Molmil
Carbonic anhydrase II in complex with Hit3-t4 (MH181)
分子名称: Carbonic anhydrase 2, Hit3-t4 (MH181), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYQ
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BU of 7oyq by Molmil
Carbonic anhydrase II in complex with Hit3-t2 (MH174)
分子名称: Carbonic anhydrase 2, Hit3-t2 (MH174), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYM
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BU of 7oym by Molmil
Carbonic anhydrase II in complex with Hit2 (MH65)
分子名称: Carbonic anhydrase 2, Hit2 (MH65), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYO
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BU of 7oyo by Molmil
Carbonic anhydrase II in complex with Hit4 (MH70)
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
5WRB
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BU of 5wrb by Molmil
Crystal structure of hen egg-white lysozyme
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E.
登録日2016-12-01
公開日2017-12-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.013 Å)
主引用文献Hydroxyethyl cellulose matrix applied to serial crystallography
Sci Rep, 7, 2017

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