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8E80
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Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 14
分子名称: 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
8E81
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Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 25
分子名称: (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
1N97
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BU of 1n97 by Molmil
Crystal Structure of CYP175A1 from Thermus thermophillus strain HB27
分子名称: 1,2-ETHANEDIOL, CYP175A1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yano, J.K, Blasco, F, Li, H, Schmid, R.D, Henne, A, Poulos, T.L.
登録日2002-11-22
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Preliminary Characterization and Crystal Structure of a Thermostable Cytochrome P450 from Thermus thermophilus
J.Biol.Chem., 278, 2003
6D1D
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BU of 6d1d by Molmil
Crystal structure of NDM-1 complexed with compound 6
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1I
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BU of 6d1i by Molmil
Crystal structure of NDM-1 complexed with compound 12
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
4ZF8
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BU of 4zf8 by Molmil
Cytochrome P450 pentamutant from BM3 with bound Metyrapone
分子名称: Bifunctional P-450/NADPH-P450 reductase, METYRAPONE, NICKEL (II) ION, ...
著者Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
登録日2015-04-21
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.766 Å)
主引用文献Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
165D
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BU of 165d by Molmil
THE STRUCTURE OF A MISPAIRED RNA DOUBLE HELIX AT 1.6 ANGSTROMS RESOLUTION AND IMPLICATIONS FOR THE PREDICTION OF RNA SECONDARY STRUCTURE
分子名称: DNA/RNA (5'-R(*GP*CP*UP*UP*CP*GP*GP*CP*)-D(*(BRU))-3'), RHODIUM HEXAMINE ION
著者Cruse, W, Saludjian, P, Biala, E, Strazewski, P, Prange, T, Kennard, O.
登録日1994-03-21
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of a mispaired RNA double helix at 1.6-A resolution and implications for the prediction of RNA secondary structure.
Proc.Natl.Acad.Sci.USA, 91, 1994
6A67
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BU of 6a67 by Molmil
Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody FLD21.140
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLD21.140 Heavy Chain, FLD21.140 Light Chain, ...
著者Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X.
登録日2018-06-26
公開日2018-08-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Complementary recognition of the receptor-binding site of highly pathogenic H5N1 influenza viruses by two human neutralizing antibodies.
J. Biol. Chem., 293, 2018
6D1A
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BU of 6d1a by Molmil
Crystal structure of NDM-1 complexed with compound 1
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
5IG3
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BU of 5ig3 by Molmil
Crystal structure of the human CaMKII-alpha hub
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha
著者McSpadden, E, Cao, Y.M, Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J.
登録日2016-02-26
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
6D19
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BU of 6d19 by Molmil
Crystal structure of KPC-2 complexed with compound 9
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
1YZI
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BU of 1yzi by Molmil
A novel quaternary structure of human carbonmonoxy hemoglobin
分子名称: CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ...
著者Safo, M.K, Abraham, D.J.
登録日2005-02-28
公開日2005-03-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The enigma of the liganded hemoglobin end state: a novel quaternary structure of human carbonmonoxy hemoglobin.
Biochemistry, 44, 2005
5C3B
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BU of 5c3b by Molmil
Crystal structure of ABBA + UDP-C-Gal (long soak) + DI
分子名称: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
登録日2015-06-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
6DD1
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BU of 6dd1 by Molmil
Crystal structure of VIM-2 complexed with compound 14
分子名称: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-05-08
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
5C47
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BU of 5c47 by Molmil
Crystal structure of ABBB + UDP-C-Gal (long soak) + DI
分子名称: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, ...
著者Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
登録日2015-06-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C4B
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BU of 5c4b by Molmil
Crystal structure of GTA + UDP-Glc + DI
分子名称: Histo-blood group ABO system transferase, MANGANESE (II) ION, TRIETHYLENE GLYCOL, ...
著者Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
登録日2015-06-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
8FGW
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BU of 8fgw by Molmil
Human IFT-A complex structures provide molecular insights into ciliary transport
分子名称: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 140 homolog, Intraflagellar transport protein 43 homolog, ...
著者Jiang, M, Palicharla, V.R, Miller, D, Hwang, S.H, Zhu, H, Hixson, P, Mukhopadhyay, S, Sun, J.
登録日2022-12-12
公開日2023-02-22
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Human IFT-A complex structures provide molecular insights into ciliary transport.
Cell Res., 33, 2023
5C4C
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BU of 5c4c by Molmil
Crystal structure of ABBB + UDP-Glc + DI
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
登録日2015-06-18
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
1FSX
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BU of 1fsx by Molmil
THE X-RAY STRUCTURE DETERMINATION OF BOVINE CARBONMONOXY HB AT 2.1 A RESOLUTION AND ITS RELATIONSHIP TO THE QUATERNARY STRUCTURE OF OTHER HB CRYSTAL FORMS
分子名称: CARBON MONOXIDE, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ...
著者Safo, M.K, Abraham, D.J.
登録日2000-09-11
公開日2001-06-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The X-ray structure determination of bovine carbonmonoxy hemoglobin at 2.1 A resoultion and its relationship to the quaternary structures of other hemoglobin crystal froms.
Protein Sci., 10, 2001
5C48
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Crystal structure of GTB + UDP-C-Gal + DI
分子名称: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
登録日2015-06-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
8K0I
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BU of 8k0i by Molmil
Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, in its dual-ternary state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, Peptidyl-prolyl cis-trans isomerase B, ...
著者Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y.
登録日2023-07-09
公開日2024-09-18
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex.
Nat Commun, 15, 2024
5C4D
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Crystal structure of GTB + UDP-Glc + DI
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
登録日2015-06-18
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C4E
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BU of 5c4e by Molmil
Crystal structure of GTB + UDP-Glc + H-antigen acceptor
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
登録日2015-06-18
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C1L
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Crystal structure of GTB + UDP-Gal + DI
分子名称: GALACTOSE-URIDINE-5'-DIPHOSPHATE, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
登録日2015-06-14
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C3A
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Crystal structure of ABBA + UDP-C-Gal (short soak) + DI
分子名称: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, Histo-blood group ABO system transferase, MANGANESE (II) ION
著者Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
登録日2015-06-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015

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