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PDB: 439 件
7SEG
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BU of 7seg by Molmil
Crystal structure of the complex of CD16A bound by an anti-CD16A Fab
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, GLYCEROL, ...
著者Kiefer, J.R, Wallweber, H.A, Polson, A.G.
登録日2021-09-30
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.156 Å)
主引用文献A BCMA/CD16A bispecific innate cell engager for the treatment of multiple myeloma.
Leukemia, 36, 2022
5I3Z
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BU of 5i3z by Molmil
Erwinia chrysanthemi L-asparaginase E63Q mutation + Aspartic acid
分子名称: ASPARTIC ACID, L-asparaginase
著者Nguyen, H.A, Lavie, A.
登録日2016-02-11
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design and Characterization of Erwinia Chrysanthemi l-Asparaginase Variants with Diminished l-Glutaminase Activity.
J.Biol.Chem., 291, 2016
5TID
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BU of 5tid by Molmil
X-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 5 in complex with octanoic acid
分子名称: Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID)
著者Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D.
登録日2016-10-02
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
5TIC
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BU of 5tic by Molmil
X-ray structure of wild-type E. coli Acyl-CoA thioesterase I at pH 5
分子名称: Acyl-CoA thioesterase I, CHLORIDE ION
著者Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D.
登録日2016-10-02
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
6EZQ
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BU of 6ezq by Molmil
human Serum Albumin complexed with NBD-C12 fatty acid
分子名称: 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid, Serum albumin
著者Wenskowsky, L, Liesum, A, Schreuder, H.A.
登録日2017-11-16
公開日2017-12-13
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Identification and Characterization of a Single High-Affinity Fatty Acid Binding Site in Human Serum Albumin.
Angew. Chem. Int. Ed. Engl., 57, 2018
5U9D
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BU of 5u9d by Molmil
Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections with a DNA-encoded chemical library
分子名称: (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Cuozzo, J.W, Centrella, P.A, Gikunju, D, Habeshian, S, Hupp, C.D, Keefe, A.D, Sigel, E, Soutter, H.H, Thomson, H.A, Zhang, Y, Clark, M.A.
登録日2016-12-16
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library.
Chembiochem, 18, 2017
5I4B
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BU of 5i4b by Molmil
Erwinia chrysanthemi L-asparaginase E63Q +S254N mutation + L-Aspartic acid
分子名称: ASPARTIC ACID, L-asparaginase
著者Nguyen, H.A, Lavie, A.
登録日2016-02-11
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and Characterization of Erwinia Chrysanthemi l-Asparaginase Variants with Diminished l-Glutaminase Activity.
J.Biol.Chem., 291, 2016
6F5K
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BU of 6f5k by Molmil
Crystal structure of laccase from Myceliophthora thermophila
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, CALCIUM ION, ...
著者Ernst, H.A, Joergensen, L.J, Piontek, K, Bukh, C, Oestergaard, L.H, Larsen, S, Bjerrum, M.J.
登録日2017-12-01
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献A comparative structural analysis of the surface properties of asco-laccases.
Plos One, 13, 2018
6FFQ
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BU of 6ffq by Molmil
Solution NMR structure of CBM64 from S.thermophila
分子名称: Glycosyl hydrolase family 5 cellulase CBM64
著者Heikkinen, H.A, Iwai, H.
登録日2018-01-09
公開日2019-01-30
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR Structure Determinations of Small Proteins Using only One Fractionally 20% 13 C- and Uniformly 100% 15 N-Labeled Sample.
Molecules, 26, 2021
6FFU
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BU of 6ffu by Molmil
Solution NMR structure of CBM64 from S.thermophila using 20% 13C, 100% 15N
分子名称: Glycosyl hydrolase family 5 cellulase CBM64
著者Heikkinen, H.A, Iwai, H.
登録日2018-01-09
公開日2019-01-30
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR Structure Determinations of Small Proteins Using only One Fractionally 20% 13 C- and Uniformly 100% 15 N-Labeled Sample.
Molecules, 26, 2021
5UG3
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BU of 5ug3 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID MUTANT A10V
分子名称: Alpha-conotoxin GID
著者Hussein, A.K, Leffler, A.E, Zebroski, H.A, Powell, S.R, Kuryatov, A, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F.
登録日2017-01-06
公開日2017-09-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UG5
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BU of 5ug5 by Molmil
NMR SOLUTION STRUCTURE OF THE ALPHA-CONOTOXIN GID MUTANT V13Y
分子名称: Alpha-conotoxin GID
著者Hussein, A, Leffler, A.E, Kuryatov, A, Zebroski, H.A, Powell, S.R, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F.
登録日2017-01-06
公開日2017-09-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6FIP
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BU of 6fip by Molmil
Solution NMR structure of Pseudomonas aeruginosa TonB CTD
分子名称: Protein TonB
著者Oeemig, J.S, Samuli Ollila, O.H, Heikkinen, H.A, Iwai, H.
登録日2018-01-19
公開日2018-08-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR structure of the C-terminal domain of TonB protein fromPseudomonas aeruginosa.
PeerJ, 6, 2018
5TIF
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BU of 5tif by Molmil
x-ray structure of acyl-CoA thioesterase I, TesA, triple mutant M141L/Y145K/L146K in complex with octanoic acid
分子名称: Acyl-CoA thioesterase I, DI(HYDROXYETHYL)ETHER, OCTANOIC ACID (CAPRYLIC ACID)
著者Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D.
登録日2016-10-02
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
5I48
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BU of 5i48 by Molmil
Erwinia chrysanthemi L-asparaginase A31I + E63Q mutation + Aspartic acid
分子名称: ASPARTIC ACID, L-asparaginase
著者Nguyen, H.A, Lavie, A.
登録日2016-02-11
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Characterization of Erwinia Chrysanthemi l-Asparaginase Variants with Diminished l-Glutaminase Activity.
J.Biol.Chem., 291, 2016
6FKG
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BU of 6fkg by Molmil
Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex.
分子名称: GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA)
著者Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A.
登録日2018-01-24
公開日2019-02-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death.
Mol.Cell, 73, 2019
4RAG
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BU of 4rag by Molmil
CRYSTAL STRUCTURE of PPC2A-D38K
分子名称: MANGANESE (II) ION, Protein phosphatase 1A
著者Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P.
登録日2014-09-10
公開日2015-08-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The catalytic role of the M2 metal ion in PP2C alpha
Sci Rep, 5, 2015
5TIE
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BU of 5tie by Molmil
x-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 7.5 in complex with octanoic acid
分子名称: Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID)
著者Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D.
登録日2016-10-02
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
6GB1
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BU of 6gb1 by Molmil
Crystal structure of the GLP1 receptor ECD with Peptide 11
分子名称: Glucagon-like peptide 1 receptor, HEXANE-1,6-DIOL, Peptide 11, ...
著者Schreuder, H.A, Liesum, A.
登録日2018-04-13
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations.
J. Med. Chem., 61, 2018
5K3O
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BU of 5k3o by Molmil
Wolinella succinogenes L-asparaginase P121 and L-Aspartic acid
分子名称: ASPARTIC ACID, L-asparaginase
著者Nguyen, H.A, Lave, A.
登録日2016-05-19
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献The differential ability of asparagine and glutamine in promoting the closed/active enzyme conformation rationalizes the Wolinella succinogenes L-asparaginase substrate specificity.
Sci Rep, 7, 2017
5K45
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BU of 5k45 by Molmil
Wolinella succinogenes L-asparaginase P121 + L-Glutamic acid
分子名称: GLUTAMIC ACID, L-asparaginase
著者Nguyen, H.A, Lave, A.
登録日2016-05-20
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献The differential ability of asparagine and glutamine in promoting the closed/active enzyme conformation rationalizes the Wolinella succinogenes L-asparaginase substrate specificity.
Sci Rep, 7, 2017
5K4H
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BU of 5k4h by Molmil
Wolinella succinogenes L-asparaginase S121 + L-Glutamic acid
分子名称: GLUTAMIC ACID, L-asparaginase
著者Nguyen, H.A, Lave, A.
登録日2016-05-20
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The differential ability of asparagine and glutamine in promoting the closed/active enzyme conformation rationalizes the Wolinella succinogenes L-asparaginase substrate specificity.
Sci Rep, 7, 2017
5HW0
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BU of 5hw0 by Molmil
Erwinia chrysanthemi L-asparaginase + Glutamic acid
分子名称: GLUTAMIC ACID, L-asparaginase
著者Nguyen, H.A, Lavie, A.
登録日2016-01-28
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structural Insight into Substrate Selectivity of Erwinia chrysanthemi l-Asparaginase.
Biochemistry, 55, 2016
5K4G
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BU of 5k4g by Molmil
Wolinella succinogenes L-asparaginase S121 + L-aspartic acid, open conformation
分子名称: ASPARTIC ACID, L-asparaginase
著者Nguyen, H.A, Lave, A.
登録日2016-05-20
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The differential ability of asparagine and glutamine in promoting the closed/active enzyme conformation rationalizes the Wolinella succinogenes L-asparaginase substrate specificity.
Sci Rep, 7, 2017
4RAF
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BU of 4raf by Molmil
Crystal structure of PP2Ca-D38A
分子名称: MANGANESE (II) ION, Protein phosphatase 1A
著者Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P.
登録日2014-09-10
公開日2015-08-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献The catalytic role of the M2 metal ion in PP2C alpha
Sci Rep, 5, 2015

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