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8F5S
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BU of 8f5s by Molmil
human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
分子名称: (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Liu, S, Roth Flach, R, Bollinger, E, Filipski, K.
登録日2022-11-15
公開日2023-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
5GYQ
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BU of 5gyq by Molmil
Putative receptor-binding domain of bat-derived coronavirus HKU9 spike protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Huang, C, Qi, J, Gao, G.F.
登録日2016-09-23
公開日2016-10-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Putative Receptor Binding Domain of Bat-Derived Coronavirus HKU9 Spike Protein: Evolution of Betacoronavirus Receptor Binding Motifs
Biochemistry, 55, 2016
5DA4
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BU of 5da4 by Molmil
Structure of a nanobody recognizing the fumarate transporter SLC26Dg
分子名称: Nanobody recognizing the membrane protein SLC26Dg
著者Dutzler, R, Geertsma, E.R, Chang, Y, Shaik, F.R.
登録日2015-08-19
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a prokaryotic fumarate transporter reveals the architecture of the SLC26 family.
Nat.Struct.Mol.Biol., 22, 2015
4DIE
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BU of 4die by Molmil
Crystal structure of a cytidylate kinase CmK from Mycobacterium abscessus bound to cytidine-5'-monophosphate
分子名称: CYTIDINE-5'-MONOPHOSPHATE, Cytidylate kinase, PHOSPHATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-01-30
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6JYZ
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BU of 6jyz by Molmil
Crystal structure of endogalactoceramidase
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ISOPROPYL ALCOHOL, ...
著者Liuqing, C, Yan, F.
登録日2019-04-29
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of an endogalactosylceramidase from Rhodococcus hoagii 103S reveals the molecular basis of its substrate specificity.
J.Struct.Biol., 208, 2019
5BTW
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BU of 5btw by Molmil
Structure of the N-terminal domain of lpg1496 from Legionella pneumophila
分子名称: Uncharacterized protein
著者Wong, K, Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2015-06-03
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism.
J.Biol.Chem., 290, 2015
4WVT
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BU of 4wvt by Molmil
Crystal structure of XIAP-BIR2 domain complexed with ligand bound
分子名称: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Pokross, M.E.
登録日2014-11-07
公開日2015-03-04
最終更新日2015-04-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
5USJ
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BU of 5usj by Molmil
Crystal Structure of human KRAS G12D mutant in complex with GDPNP
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L.
登録日2017-02-13
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
4DI1
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BU of 4di1 by Molmil
Crystal structure of enoyl-CoA hydratase EchA17 from Mycobacterium marinum
分子名称: 1,2-ETHANEDIOL, Enoyl-CoA hydratase EchA17
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-01-30
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
5T8Q
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BU of 5t8q by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to aryl pyrrole fragment 17
分子名称: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P.A, Hymowitz, S.G.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
5TDW
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BU of 5tdw by Molmil
Set3 PHD finger in complex with histone H3K4me3
分子名称: SET domain-containing protein 3, SODIUM ION, ZINC ION, ...
著者Andrews, F.H, Ali, M, Kutateladze, T.G.
登録日2016-09-19
公開日2016-10-19
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insight into Recognition of Methylated Histone H3K4 by Set3.
J. Mol. Biol., 429, 2017
4WY1
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BU of 4wy1 by Molmil
Crystal structure of human BACE-1 bound to Compound 24B
分子名称: (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1
著者Vajdos, F.F, Parris, K.
登録日2014-11-14
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
7ROM
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BU of 7rom by Molmil
Crystal structure of Saccharomyces cerevisiae NADH-cytochrome b5 reductase 1 (Cbr1) fragment (residues 28-284) bound to FAD
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NADH-cytochrome b5 reductase 1, ...
著者Fenwick, M.K, Zhang, Y, Lin, H.
登録日2021-07-31
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of Saccharomyces cerevisiae NADH-cytochrome b5 reductase 1 (Cbr1) fragment (residues 28-284) bound to FAD
To Be Published
5DJO
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BU of 5djo by Molmil
Crystal structure of the CC1-FHA tandem of Kinesin-3 KIF13A
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Ren, J.Q, Li, W, Huo, L, Feng, W.
登録日2015-09-02
公開日2015-12-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural Correlation of the Neck Coil with the Coiled-coil (CC1)-Forkhead-associated (FHA) Tandem for Active Kinesin-3 KIF13A
J.Biol.Chem., 291, 2016
5SVI
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BU of 5svi by Molmil
MORC3 CW domain in complex with unmodified histone H3
分子名称: ALA-ARG-THR-LYS-GLN-THR-ALA-ARG, MORC family CW-type zinc finger protein 3, ZINC ION
著者Tong, Q, Andrews, F.H, Kutateladze, T.G.
登録日2016-08-06
公開日2016-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.613 Å)
主引用文献Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase.
Cell Rep, 16, 2016
5SVY
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BU of 5svy by Molmil
MORC3 CW in complex with histone H3K4me1
分子名称: ACETATE ION, H3K4me1, MORC family CW-type zinc finger protein 3, ...
著者Tong, Q, Andrews, F.H, Kutateladze, T.G.
登録日2016-08-08
公開日2016-10-05
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase.
Cell Rep, 16, 2016
3HZU
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BU of 3hzu by Molmil
Crystal structure of probable thiosulfate sulfurtransferase SSEA (rhodanese) from Mycobacterium tuberculosis
分子名称: GLYCEROL, SULFATE ION, Thiosulfate sulfurtransferase sseA
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-06-24
公開日2009-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycobacterium thermoresistibile as a source of thermostable orthologs of Mycobacterium tuberculosis proteins.
Protein Sci., 21, 2012
7MTD
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BU of 7mtd by Molmil
Structure of aged SARS-CoV-2 S2P spike at pH 7.4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Tsybovsky, Y, Olia, A.S, Kwong, P.D.
登録日2021-05-13
公開日2021-09-15
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
7MTC
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BU of 7mtc by Molmil
Structure of freshly purified SARS-CoV-2 S2P spike at pH 7.4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Tsybovsky, Y, Olia, A.S, Kwong, P.D.
登録日2021-05-13
公開日2021-09-15
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
5U2J
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BU of 5u2j by Molmil
MORF double PHD finger (DPF) in complex with histone H3K14bu
分子名称: Histone H3K14bu, Histone acetyltransferase KAT6B, ZINC ION
著者Andrews, F.H, Klein, B.J, Kutateladze, T.G.
登録日2016-11-30
公開日2017-04-12
最終更新日2017-04-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Recognition of Histone H3K14 Acylation by MORF.
Structure, 25, 2017
3GTD
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BU of 3gtd by Molmil
2.4 Angstrom crystal structure of fumarate hydratase from Rickettsia prowazekii
分子名称: Fumarate hydratase class II, MALONATE ION, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-27
公開日2009-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of fumarate hydratase from Rickettsia prowazekii, the agent of typhus and suspected relative of the mitochondria.
Acta Crystallogr.,Sect.F, 67, 2011
3GVC
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BU of 3gvc by Molmil
Crystal structure of probable short-chain dehydrogenase-reductase from Mycobacterium tuberculosis
分子名称: Probable short-chain type dehydrogenase/reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-30
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7MTE
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BU of 7mte by Molmil
Structure of SARS-CoV-2 S2P spike at pH 7.4 refolded by low-pH treatment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Tsybovsky, Y, Olia, A.S, Kwong, P.D.
登録日2021-05-13
公開日2021-09-15
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
7Y4F
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BU of 7y4f by Molmil
bacterial DPP4
分子名称: Dipeptidyl peptidase IV
著者Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
登録日2022-06-14
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
6A06
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BU of 6a06 by Molmil
Structure of pSTING complex
分子名称: SULFATE ION, Stimulator of interferon genes protein, cGAMP
著者Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
登録日2018-06-05
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019

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