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6SZE
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BU of 6sze by Molmil
RIP2 Kinase Catalytic Domain complex with 5-Amino-1-Phenylpyrazole-4-Carboxamide.
分子名称: 5-Amino-1-Phenylpyrazole-4-Carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Charnley, A.K, Shewchuk, L.
登録日2019-10-02
公開日2019-10-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
1JPZ
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BU of 1jpz by Molmil
Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine
分子名称: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
著者Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A.
登録日2001-08-03
公開日2001-11-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Pivotal role of water in the mechanism of P450BM-3.
Biochemistry, 40, 2001
6SZJ
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BU of 6szj by Molmil
RIP2 Kinase Catalytic Domain complex with 5amino1tertbutyl3(3methoxyphenyl)1H pyrazole4carboxamide.
分子名称: 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Charnley, A.K, Shewchuk, L.
登録日2019-10-02
公開日2019-12-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
4LX4
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BU of 4lx4 by Molmil
Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein
著者Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C.
登録日2013-07-29
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.556 Å)
主引用文献Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
6JAU
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BU of 6jau by Molmil
The complex structure of Pseudomonas aeruginosa MucA/MucB.
分子名称: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R.
登録日2019-01-25
公開日2020-01-29
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa.
Commun Biol, 3, 2020
4N19
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BU of 4n19 by Molmil
Structural basis of conformational transitions in the active site and 80 s loop in the FK506 binding protein FKBP12
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION
著者Mustafi, S.M, Brecher, M.B, Zhang, J, Li, H.M, Lemaster, D.M, Hernandez, G.
登録日2013-10-03
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis of conformational transitions in the active site and 80's loop in the FK506-binding protein FKBP12.
Biochem.J., 458, 2014
3F4M
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BU of 3f4m by Molmil
Crystal structure of TIPE2
分子名称: CHLORIDE ION, Tumor necrosis factor, alpha-induced protein 8-like protein 2
著者Zhang, X, Wang, J, Shi, Y.
登録日2008-11-01
公開日2009-03-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Crystal structure of TIPE2 provides insights into immune homeostasis
Nat.Struct.Mol.Biol., 16, 2009
6JJ3
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BU of 6jj3 by Molmil
BRD4 in complex with 138A
分子名称: 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
5UAE
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BU of 5uae by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua Phage Integrase (Trigonal Form)
分子名称: CITRATE ANION, Putative integrase
著者Gupta, K, Sharp, R, Yuan, J.B, Van Duyne, G.D.
登録日2016-12-19
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
5UDO
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BU of 5udo by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua Phage Integrase (Tetragonal Form II)
分子名称: A118 serine integrase
著者Gupta, K, Yuan, J.B, Sharp, R, Van Duyne, G.D.
登録日2016-12-28
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
6IM6
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BU of 6im6 by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-22
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMT
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BU of 6imt by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-23
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.483 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6JLP
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BU of 6jlp by Molmil
XFEL structure of cyanobacterial photosystem II (3F state, dataset2)
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2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JLN
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BU of 6jln by Molmil
XFEL structure of cyanobacterial photosystem II (1F state, dataset2)
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2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
7ERO
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BU of 7ero by Molmil
Crystal structure of D-allulose 3-epimerase with D-allulose from Agrobacterium sp. SUL3
分子名称: D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-05-06
公開日2022-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
7ERN
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BU of 7ern by Molmil
Crystal structure of D-allulose 3-epimerase with D-fructose from Agrobacterium sp. SUL3
分子名称: D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-05-06
公開日2022-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
7ERM
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BU of 7erm by Molmil
Crystal structure of D-allulose 3-epimerase from Agrobacterium sp. SUL3
分子名称: D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-05-06
公開日2022-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
1K3N
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BU of 1k3n by Molmil
NMR Structure of the FHA1 Domain of Rad53 in Complex with a Rad9-derived Phosphothreonine (at T155) Peptide
分子名称: DNA repair protein Rad9, Protein Kinase SPK1
著者Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D.
登録日2001-10-03
公開日2001-12-05
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53.
J.Mol.Biol., 314, 2001
1K3Q
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BU of 1k3q by Molmil
NMR structure of the FHA1 Domain of Rad53 in Complex with a Rad9-derived Phosphothreonine (at T192) Peptide
分子名称: DNA repair protein Rad9, Protein Kinase SPK1
著者Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D.
登録日2001-10-03
公開日2001-12-05
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53.
J.Mol.Biol., 314, 2001
7FFM
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BU of 7ffm by Molmil
Human serum transferrin with five osmium binding sites
分子名称: MALONATE ION, NITRILOTRIACETIC ACID, OSMIUM ION, ...
著者Wang, M, Sun, H.
登録日2021-07-23
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
7FFU
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BU of 7ffu by Molmil
Osmium-bound human serum transferrin
分子名称: FE (III) ION, MALONATE ION, OSMIUM ION, ...
著者Wang, M, Sun, H.
登録日2021-07-23
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
6IO6
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BU of 6io6 by Molmil
Silver-bound Glyceraldehyde-3-phosphate dehydrogenase A at non-catalytic site
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, SILVER ION
著者Wang, H, Sun, H, Wang, M.
登録日2018-10-29
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Antimicrobial silver targets glyceraldehyde-3-phosphate dehydrogenase in glycolysis ofE. coli.
Chem Sci, 10, 2019
7MF1
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BU of 7mf1 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 47D1 Fab heavy chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2021-04-08
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.092 Å)
主引用文献Diverse immunoglobulin gene usage and convergent epitope targeting in neutralizing antibody responses to SARS-CoV-2.
Cell Rep, 35, 2021
6P3P
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BU of 6p3p by Molmil
Crystal structure of Mcl-1 in complex with compound 65
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
著者Toms, A.V, Follows, B.
登録日2019-05-24
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
7TYV
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BU of 7tyv by Molmil
Structure of Lassa Virus glycoprotein (Josiah) bound to Fab 25.10C
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, 25.10C Fab Heavy Chain, ...
著者Enriquez, A.S, Hastie, K.M.
登録日2022-02-14
公開日2022-06-01
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Delineating the mechanism of anti-Lassa virus GPC-A neutralizing antibodies.
Cell Rep, 39, 2022

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