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7KIB
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BU of 7kib by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4
分子名称: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Palte, R.L, Hayes, R.P.
登録日2020-10-23
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
5HH6
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BU of 5hh6 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 in complex with a phosphonate-based inhibitor
分子名称: 6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2016-01-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
5Q0E
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BU of 5q0e by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-05-01
公開日2017-07-12
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
6H3P
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BU of 6h3p by Molmil
Crystal structure of the cytoplasmic chorismate mutase from Zea mays
分子名称: Chorismate mutase
著者Altegoer, F, Bange, G.
登録日2018-07-19
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
5E2O
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BU of 5e2o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid
分子名称: 1,2-ETHANEDIOL, 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid, Coagulation factor XIa light chain, ...
著者Wei, A.
登録日2015-10-01
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5VB9
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BU of 5vb9 by Molmil
IL-17A in complex with peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-17A, ...
著者Antonysamy, S, Russell, M, Zhang, A, Groshong, C, Manglicmot, D, Lu, F, Benach, J, Wasserman, S.R, Zhang, F, Afshar, S, Bina, H, Broughton, H, Chalmers, M, Dodge, J, Espada, A, Jones, S, Ting, J.P, Woodman, M.
登録日2017-03-28
公開日2018-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery.
PLoS ONE, 13, 2018
4EQC
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BU of 4eqc by Molmil
Crystal structure of PAK1 kinase domain in complex with FRAX597 inhibitor
分子名称: 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R.
登録日2012-04-18
公開日2013-08-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献FRAX597, a Small Molecule Inhibitor of the p21-activated Kinases, Inhibits Tumorigenesis of Neurofibromatosis Type 2 (NF2)-associated Schwannomas.
J.Biol.Chem., 288, 2013
5Q0G
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BU of 5q0g by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2017-05-01
公開日2017-07-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
8QRT
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BU of 8qrt by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
分子名称: (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one, Acyl-acp thioesterase
著者Freigang, J.
登録日2023-10-09
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
8QS0
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BU of 8qs0 by Molmil
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
分子名称: (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one, Acyl-acp thioesterase
著者Freigang, J.
登録日2023-10-10
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Optimization of Spirocyclic Lactams that Inhibit Acyl-ACP Thioesterase.
Pest Manag Sci, 2024
7JYU
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BU of 7jyu by Molmil
Crystal Structure of HLA-A*2402 in complex with IYFSPIRVTF, an 10-mer epitope from Influenza B virus
分子名称: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
著者Nguyen, A.T, Szeto, C, Rossjohn, J, Gras, S.
登録日2020-09-01
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
7JYV
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BU of 7jyv by Molmil
Crystal Structure of HLA A*2402 in complex with YFSPIRVTF, an 9-mer influenza epitope
分子名称: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
著者Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
登録日2020-09-01
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
7JYW
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BU of 7jyw by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWIIRNW, an 9-mer influenza epitope
分子名称: Beta-2-microglobulin, CALCIUM ION, MHC class I antigen, ...
著者Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
登録日2020-09-01
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
7JYX
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BU of 7jyx by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWIIRNWET, an 11-mer epitope from Influenza
分子名称: Beta-2-microglobulin, MHC class I antigen, PB2 peptide from Influenza, ...
著者Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
登録日2020-09-01
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
6ANV
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BU of 6anv by Molmil
Crystal structure of anti-CRISPR protein AcrF1
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Yang, H, Patel, D.J.
登録日2017-08-14
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.265 Å)
主引用文献Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
6B8U
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BU of 6b8u by Molmil
Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor
分子名称: Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
著者Appleton, B.A, Murray, J, Shafer, C.M.
登録日2017-10-09
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
4C5G
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BU of 4c5g by Molmil
Crystal structure of the minimal Pho-Sfmbt complex (P6122 spacegroup)
分子名称: POLYCOMB PROTEIN PHO, POLYCOMB PROTEIN SFMBT
著者Alfieri, C, Glatt, S, Mueller, C.W.
登録日2013-09-11
公開日2013-11-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Targeting the Chromatin Repressor Sfmbt to Polycomb Response Elements
Genes Dev., 27, 2013
6B1Z
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BU of 6b1z by Molmil
Crystal Structure of Glutamate-tRNA Synthetase from Elizabethkingia anophelis
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Glutamate--tRNA ligase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-09-19
公開日2017-10-04
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of glutamyl-tRNA synthetase from Elizabethkingia anopheles and E. meningosepticum.
Acta Crystallogr.,Sect.F, 78, 2022
6CNZ
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BU of 6cnz by Molmil
Crystal Structure of Chorismate Mutase from Burkholderia thailandensis
分子名称: 1,2-ETHANEDIOL, Chorismate mutase, NITRATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-03-09
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of chorismate mutase from Burkholderia thailandensis.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6CNR
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BU of 6cnr by Molmil
aducanumab apo Fab
分子名称: Aducanumab heavy chain, Aducanumab light chain, SULFATE ION
著者Arndt, J.W.
登録日2018-03-08
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural and kinetic basis for the selectivity of aducanumab for aggregated forms of amyloid-beta.
Sci Rep, 8, 2018
3ZOJ
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BU of 3zoj by Molmil
High-resolution structure of Pichia Pastoris aquaporin Aqy1 at 0.88 A
分子名称: AQUAPORIN, CHLORIDE ION, octyl beta-D-glucopyranoside
著者Kosinska-Eriksson, U, Fischer, G, Friemann, R, Enkavi, G, Tajkhorshid, E, Neutze, R.
登録日2013-02-21
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献Subangstrom Resolution X-Ray Structure Details Aquaporin-Water Interactions
Science, 340, 2013
8DT8
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BU of 8dt8 by Molmil
LM18/Nb136 bispecific tetra-nanobody immunoglobulin in complex with SARS-CoV-2-6P-Mut7 S protein (focused refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LM18 nanobody, Nb136 nanobody, ...
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2022-07-25
公開日2023-06-14
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
4C5E
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BU of 4c5e by Molmil
Crystal structure of the minimal Pho-Sfmbt complex (P21 spacegroup)
分子名称: POLYCOMB PROTEIN PHO, POLYCOMB PROTEIN SFMBT
著者Alfieri, C, Glatt, S, Mueller, C.W.
登録日2013-09-11
公開日2013-11-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structural Basis for Targeting the Chromatin Repressor Sfmbt to Polycomb Response Elements
Genes Dev., 27, 2013
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
分子名称: Conserved protein, Mycothiol, ZINC ION
著者Jayasinghe, Y.P, Ronning, D.R.
登録日2022-11-15
公開日2023-04-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
8PBX
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BU of 8pbx by Molmil
Single particle cryo-EM of the P140-P110 heterodimer of Mycoplasma genitalium at 3.3 Angstrom resolution.
分子名称: Adhesin P1, Mgp-operon protein 3
著者Sprankel, L, Scheffer, M.P, Frangakis, A.S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-electron tomography reveals the binding and release states of the major adhesion complex from Mycoplasma genitalium.
Plos Pathog., 19, 2023

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