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8SPI
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BU of 8spi by Molmil
Crystal structure of chimeric omicron RBD (strain XBB.1.5) complexed with human ACE2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, W, Shi, K, Aihara, H, Li, F.
登録日2023-05-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
8SPH
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BU of 8sph by Molmil
Crystal structure of chimeric omicron RBD (strain XBB.1) complexed with human ACE2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, W, Shi, K, Aihara, H, Li, F.
登録日2023-05-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
8SPD
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BU of 8spd by Molmil
Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole
分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Hsu, M.H, Johnson, E.F.
登録日2023-05-02
公開日2023-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
8SPC
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BU of 8spc by Molmil
Crystal structure of the cytochrome P450 enzyme RufO
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome P450, ...
著者Dratch, B.D, Davis, K.M.
登録日2023-05-02
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.871 Å)
主引用文献Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO.
Acs Chem.Biol., 18, 2023
8SP6
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BU of 8sp6 by Molmil
COMPLEX STRUCTURE OF CDYL2 WITH AN ANTAGONIST
分子名称: (1s,4s)-bicyclo[2.2.1]heptane, (5R0)FAL(MLZ)(5R5), Chromodomain Y-like protein 2, ...
著者Song, X, Beldar, S, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-05-02
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献COMPLEX STRUCTURE OF CDYL2 WITH AN ANTAGONIST
To be published
8SP2
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BU of 8sp2 by Molmil
Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 apo form
分子名称: NICKEL (II) ION, metformin hydrolase subunit A, metformin hydrolase subunit B
著者Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P.
登録日2023-05-01
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SOV
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BU of 8sov by Molmil
Proteinase K Multiconformer Model at 353K
分子名称: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ...
著者Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
登録日2023-04-30
公開日2023-08-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.291 Å)
主引用文献Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SOU
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BU of 8sou by Molmil
Proteinase K Multiconformer Model at 363K
分子名称: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ...
著者Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
登録日2023-04-30
公開日2023-08-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SOT
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BU of 8sot by Molmil
Structure of the PPIase domain of borrelial BB0108
分子名称: Basic membrane protein, GLYCEROL
著者Shakya, A.K, Herzberg, O.
登録日2023-04-30
公開日2023-10-11
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
8SON
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BU of 8son by Molmil
Crystal structure of macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide
分子名称: (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide, GLYCEROL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2023-04-28
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of the macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide
To Be Published
8SOG
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BU of 8sog by Molmil
Proteinase K Multiconformer Model at 313K
分子名称: CALCIUM ION, Proteinase K, SULFATE ION
著者Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
登録日2023-04-28
公開日2023-08-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SNK
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BU of 8snk by Molmil
Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 mutant (MfmA/D188N)
分子名称: ZINC ION, metformin hydrolase subunit A, metformin hydrolase subunit B
著者Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P.
登録日2023-04-27
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SNJ
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BU of 8snj by Molmil
Crystal Structure of ArnB Transferase from Klebsiella aerogenes (Lattice Translocation Disorder, P1 form)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRIDOXAL-5'-PHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-04-27
公開日2023-05-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of ArnB Transferase from Klebsiella aerogenes (Lattice Translocation Disorder, P1 form)
To be published
8SNG
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BU of 8sng by Molmil
Crystal Structure of ArnB Transferase from Klebsiella aerogenes (Lattice Translocation Disorder, P21 form)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ETHANOL, MAGNESIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-04-27
公開日2023-05-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of ArnB Transferase from Klebsiella aerogenes (Lattice Translocation Disorder, P21 form)
To be published
8SNF
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BU of 8snf by Molmil
Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 with Ni2+2 bound
分子名称: NICKEL (II) ION, metformin hydrolase subunit A, metformin hydrolase subunit B
著者Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P.
登録日2023-04-27
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SMV
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BU of 8smv by Molmil
GPR161 Gs heterotrimer
分子名称: CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Hoppe, N, Manglik, A, Harrison, S.
登録日2023-04-26
公開日2024-02-21
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献GPR161 structure uncovers the redundant role of sterol-regulated ciliary cAMP signaling in the Hedgehog pathway.
Biorxiv, 2023
8SMU
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BU of 8smu by Molmil
Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP
分子名称: CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ...
著者Mahoney, B.J, Cascio, D, Clubb, R.T.
登録日2023-04-26
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens.
J.Inorg.Biochem., 249, 2023
8SMS
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BU of 8sms by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase, FabB, and cerulenin crosslinker-crypto Acyl Carrier Protein, AcpP
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide
著者Jiang, Z, Chen, A, Chen, J, Sekhon, A, Louie, G.V, Noel, J.P, La Clair, J.J, Burkart, M.D.
登録日2023-04-26
公開日2023-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Masked cerulenin enables a dual-site selective protein crosslink.
Chem Sci, 14, 2023
8SMQ
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BU of 8smq by Molmil
Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2023-04-26
公開日2023-05-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
8SMI
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BU of 8smi by Molmil
Crystal structure of antibody WRAIR-2123 in complex with SARS-CoV-2 receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, WRAIR-2123 Fab heavy chain, ...
著者Sankhala, R.S, Jensen, J.L, Joyce, M.G.
登録日2023-04-26
公開日2023-12-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
8SMC
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BU of 8smc by Molmil
Cryo-EM structure of LRRK2 bound with type-I inhibitor DNL201
分子名称: 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, GUANOSINE-5'-DIPHOSPHATE, non-specific serine/threonine protein kinase
著者Sun, J, Zhu, H.
登録日2023-04-26
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (4.02 Å)
主引用文献Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
8SM1
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BU of 8sm1 by Molmil
CRYSTAL STRUCTURE OF HUMAN ANTIBODY 769A9 IN COMPLEX WITH EPSTEIN-BARR VIRUS MAJOR GLYCOPROTEIN GP350
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769A9 Fab heavy chain, 769A9 Fab light chain, ...
著者Chen, W.-H, Bu, W, Cohen, J.I, Kanekiyo, M, Joyce, M.G.
登録日2023-04-25
公開日2024-05-01
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Structural Basis For Receptor Engagement And Virus Neutralization Through Epstein-Barr Virus Gp350
To Be Published
8SLW
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BU of 8slw by Molmil
Cryo-EM structure of the rat TRPM5 channel in 2mM calcium, high-4
分子名称: CALCIUM ION, Transient receptor potential cation channel subfamily M member 5
著者Karuppan, S, Schrag, L.G, Jara-Oseguera, A, Zubcevic, L.
登録日2023-04-24
公開日2024-07-03
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural dynamics at cytosolic interprotomer interfaces control gating of a mammalian TRPM5 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SLV
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BU of 8slv by Molmil
Structure of a salivary alpha-glucosidase from the mosquito vector Aedes aegypti.
分子名称: 1,3-PROPANDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gittis, A.G, Williams, A.E, Garboczi, D, Calvo, E.
登録日2023-04-24
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural and functional comparisons of salivary alpha-glucosidases from the mosquito vectors Aedes aegypti, Anopheles gambiae, and Culex quinquefasciatus.
Insect Biochem.Mol.Biol., 167, 2024
8SLU
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BU of 8slu by Molmil
Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa)
分子名称: GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
著者Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
登録日2023-04-24
公開日2023-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023

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件を2024-07-10に公開中

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