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5WL8
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Crystal structure of chalcone isomerase engineered from ancestral inference (epR4)
分子名称: Engineered Chalcone Isomerase epR4, FORMIC ACID
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WCC
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BU of 5wcc by Molmil
Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 02-1F07 Fab.
分子名称: GLYCEROL, POLYETHYLENE GLYCOL (N=34), SULFATE ION, ...
著者Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D.
登録日2017-06-29
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.461 Å)
主引用文献Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
5WKR
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Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancCC)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Engineered Chalcone Isomerase ancCC, ...
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL4
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Crystal structure of chalcone isomerase engineered from ancestral inference (ancR3)
分子名称: Engineered Chalcone Isomerase ancR3, FORMIC ACID
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5W80
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Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
分子名称: 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2017-06-21
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
To be published
5WCG
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SET and MYND Domain Containing protein 2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-lysine methyltransferase SMYD2, ...
著者Dong, A, Zeng, H, Walker, J.R, Hutch, A, Seitova, A, Tatlock, J, Kumpf, R, Owen, A, Taylor, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2017-06-30
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The crystal structure of SMYD2 in complex with compound MTF003
to be published
5W9E
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Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186
分子名称: 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R.
登録日2017-06-23
公開日2017-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186
To be published
5WCI
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Human MYST histone acetyltransferase 1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Histone acetyltransferase KAT8, ...
著者Dong, A, Zeng, H, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Zheng, Y.G, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2017-06-30
公開日2017-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Human MYST histone acetyltransferase 1
to be published
5WOG
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Human Hemoglobin immersed in Liquid Oxygen for 1 minute
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Gumpper, R.H, Terrell, J.R, Luo, M.
登録日2017-08-02
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Hemoglobin crystals immersed in liquid oxygen reveal diffusion channels.
Biochem. Biophys. Res. Commun., 495, 2018
5VST
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Crystal structure of murine CEACAM1b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Biliary glycoprotein
著者Peng, G, Yang, Y, Pasquarella, J.R, Xu, L, Qian, Z, Holmes, K.V, Li, F.
登録日2017-05-12
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular mechanism for coronavirus-driven evolution of mouse receptor
J. Biol. Chem., 292, 2017
5WS5
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Native XFEL structure of photosystem II (preflash dark dataset)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2016-12-05
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
5W8R
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Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
分子名称: 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2017-06-22
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
To be published
5WBN
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Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ...
著者Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H.
登録日2017-06-29
公開日2017-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
To be published
5VXZ
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BU of 5vxz by Molmil
High-affinity AXL decoy receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Mathrews, I.I, Kapur, S, Kariolis, M.S, Cochran, J.R.
登録日2017-05-24
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of the GAS6/AXL pathway augments the efficacy of chemotherapies.
J. Clin. Invest., 127, 2017
5Z9S
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Functional and Structural Characterization of a beta-Glucosidase Involved in Saponin Metabolism from Intestinal Bacteria
分子名称: Glycosyl hydrolase family 3 protein, beta-D-glucopyranose
著者Yan, S, Wei, P.C, Li, J.R.
登録日2018-02-05
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional and structural characterization of a beta-glucosidase involved in saponin metabolism from intestinal bacteria.
Biochem. Biophys. Res. Commun., 496, 2018
7JYP
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Structure of thioredoxin reductase from the thermophilic eubacterium Thermosipho africanus TCF52B
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thioredoxin reductase
著者Sahtout, N, Kuttiyatveetil, J.R.A, Sanders, D.A.R.
登録日2020-08-31
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of thioredoxin reductase from the thermophilic eubacterium Thermosipho africanus TCF52B.
To be Published
5NYZ
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BU of 5nyz by Molmil
Twist and induce: Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 dUTPase. D95E mutant from dUTPase 80alpha phage.
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION
著者Alite, C, Humphrey, S, Donderis, J, Maiques, E, Ciges-Tomas, J.R, Penades, J.R, Marina, A.
登録日2017-05-12
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 alpha dUTPase.
Sci Rep, 7, 2017
5NZ2
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BU of 5nz2 by Molmil
Twist and induce: Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 dUTPase. D95E mutant from dUTPase 80alpha phage.
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION
著者Alite, C, Humphrey, S, Donderis, J, Maiques, E, Ciges-Tomas, J.R, Penades, J.R, Marina, A.
登録日2017-05-12
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 alpha dUTPase.
Sci Rep, 7, 2017
1B6H
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BU of 1b6h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-NORVALYL-LYSINE
分子名称: LYS-NVA-LYS PEPTIDE, Periplasmic oligopeptide-binding protein, URANIUM ATOM
著者Davies, T.G, Tame, J.R.H.
登録日1998-11-13
公開日1998-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B7H
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OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-NORLEUCYL-LYSINE
分子名称: LYS-NLE-LYS PEPTIDE, Periplasmic oligopeptide-binding protein, URANIUM ATOM
著者Davies, T.G, Tame, J.R.H.
登録日1998-11-16
公開日1998-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B3H
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BU of 1b3h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-CYCLOHEXYLALANYL-LYSINE
分子名称: LYS-ALC-LYS PEPTIDE, PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN, URANIUM ATOM
著者Davies, T.G, Tame, J.R.H.
登録日1998-11-16
公開日1998-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B5H
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BU of 1b5h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-DIAMINOPROPANOIC ACID-LYSINE
分子名称: LYS-DPP-LYS PEPTIDE, OLIGO-PEPTIDE BINDING PROTEIN, URANIUM ATOM
著者Davies, T.G, Tame, J.R.H.
登録日1998-11-13
公開日1998-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B2H
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BU of 1b2h by Molmil
Oligo-Peptide Binding Protein Complexed with Lysyl-Ornithyl-Lysine
分子名称: ACETATE ION, LYS-ORN-LYS, PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN, ...
著者Davies, T.G, Tame, J.R.H.
登録日1998-11-16
公開日1998-11-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B1H
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BU of 1b1h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN/TRIPEPTIDE (LYS HPE LYS) COMPLEX
分子名称: PROTEIN (LYS HPE LYS), PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN), URANYL (VI) ION
著者Davies, T.G, Tame, J.R.H.
登録日1998-11-10
公開日1998-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B4H
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BU of 1b4h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-DIAMINOBUTYRIC ACID-LYSINE
分子名称: LYS-DAB-LYS PEPTIDE, PERIPLASMIC OLIGO-PEPTIDE BINDING PROTEIN, URANIUM ATOM
著者Davies, T.G, Tame, J.R.H.
登録日1998-11-11
公開日1998-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999

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