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5OOT
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BU of 5oot by Molmil
Structure of CHK1 10-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor
分子名称: 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-08
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OP2
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BU of 5op2 by Molmil
Structure of CHK1 10-pt. mutant complex with arylbenzamide LRRK2 inhibitor
分子名称: 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-09
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPB
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BU of 5opb by Molmil
Structure of CHK1 10-pt. mutant complex with indazole LRRK2 inhibitor
分子名称: (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-09
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ8
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BU of 5oq8 by Molmil
Structure of CHK1 12-pt. mutant complex with arylbenzamide LRRK2 inhibitor
分子名称: 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPU
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BU of 5opu by Molmil
Structure of CHK1 10-pt. mutant complex with pyrrolopyridine LRRK2 inhibitor
分子名称: 6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPR
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BU of 5opr by Molmil
Structure of CHK1 10-pt. mutant complex with aminopyridine LRRK2 inhibitor
分子名称: 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPV
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BU of 5opv by Molmil
Structure of CHK1 10-pt. mutant complex with pyrrolopyridine LRRK2 inhibitor
分子名称: 4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ5
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BU of 5oq5 by Molmil
Structure of CHK1 8-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
4MSL
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BU of 4msl by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431
分子名称: N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ...
著者Andersen, J.L, Strandbygaard, D, Thirup, S.
登録日2013-09-18
公開日2014-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
4N7E
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BU of 4n7e by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469
分子名称: 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ...
著者Andersen, J.L, Strandbygaard, D, Thirup, S.
登録日2013-10-15
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.
Bioorg.Med.Chem.Lett., 24, 2014
2Q8V
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BU of 2q8v by Molmil
NblA protein from T. vulcanus crystallized with urea
分子名称: NblA protein, UREA
著者Adir, N, Dines, M.
登録日2007-06-12
公開日2008-07-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural, Functional, and Mutational Analysis of the NblA Protein Provides Insight into Possible Modes of Interaction with the Phycobilisome
J.Biol.Chem., 283, 2008
2QDO
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BU of 2qdo by Molmil
NblA protein from T. vulcanus
分子名称: NblA protein
著者Dines, M, Adir, N.
登録日2007-06-21
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural, Functional, and Mutational Analysis of the NblA Protein Provides Insight into Possible Modes of Interaction with the Phycobilisome
J.Biol.Chem., 283, 2008
3CS5
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BU of 3cs5 by Molmil
NblA protein from Synechococcus elongatus PCC 7942
分子名称: Phycobilisome degradation protein nblA
著者Dines, M, Sendersky, E, Schwarz, R, Adir, N.
登録日2008-04-09
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural, Functional, and Mutational Analysis of the NblA Protein Provides Insight into Possible Modes of Interaction with the Phycobilisome
J.Biol.Chem., 283, 2008
2MB9
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BU of 2mb9 by Molmil
Human Bcl10 CARD
分子名称: B-cell lymphoma/leukemia 10
著者Zheng, C, Bracken, C, Wu, H.
登録日2013-07-26
公開日2013-10-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Architecture of the CARMA1/Bcl10/MALT1 Signalosome: Nucleation-Induced Filamentous Assembly.
Mol.Cell, 51, 2013
6EV4
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BU of 6ev4 by Molmil
Structure of wild type A. niger Fdc1 purified in the dark with prFMN in the iminium form
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, David, L, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EVE
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BU of 6eve by Molmil
Structure of R175A S. cerevisiae Fdc1 with prFMN in the iminium form
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, David, L.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EV8
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BU of 6ev8 by Molmil
Structure of E277Q A. niger Fdc1 with prFMN in the hydroxylated form
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Bailey, S.S, David, L, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EVF
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Structure of E285D S. cerevisiae Fdc1 with prFMN in the hydroxylated form
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, David, L, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EV3
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BU of 6ev3 by Molmil
Structure of wild type A. niger Fdc1 that has been illuminated with UV light, with prFMN in the iminium and ketimine form
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, Ferulic acid decarboxylase 1, ...
著者Bailey, S.S, David, L, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EVD
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Structure of R173A A. niger Fdc1 with prFMN in the hydroxylated form
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Bailey, S.S, David, L, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EVA
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BU of 6eva by Molmil
Structure of E277Q A. niger fdc1 in complex with a phenylpyruvate derived adduct to the prenylated flavin cofactor
分子名称: 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1 ,8-fg]pteridin-7-yl]-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, David, L, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EV6
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Structure of E282Q A. niger Fdc1 with prFMN in the hydroxylated and ketimine forms
分子名称: 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, David, L, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EVC
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Structure of E282Q A. niger Fdc1 in complex with pentafluoro-cinnamic acid
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, David, L, Payne, K.A.P.
登録日2017-11-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
1ORD
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BU of 1ord by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF A PLP-DEPENDENT ORNITHINE DECARBOXYLASE FROM LACTOBACILLUS 30A TO 3.1 ANGSTROMS RESOLUTION
分子名称: ORNITHINE DECARBOXYLASE, PYRIDOXAL-5'-PHOSPHATE
著者Hackert, M.L, Momany, C, Ernst, S, Ghosh, R.
登録日1995-02-08
公開日1995-09-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic structure of a PLP-dependent ornithine decarboxylase from Lactobacillus 30a to 3.0 A resolution.
J.Mol.Biol., 252, 1995
1HLM
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AMINO ACID SEQUENCE OF A GLOBIN FROM THE SEA CUCUMBER CAUDINA (MOLPADIA) ARENICOLA
分子名称: CYANIDE ION, HEMOGLOBIN (CYANO MET), PROTOPORPHYRIN IX CONTAINING FE
著者Hackert, M.L, Mitchell, D.T, Ernst, S.R.
登録日1994-08-26
公開日1995-02-07
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Amino acid sequence of a globin from the sea cucumber Caudina (Molpadia) arenicola.
Biochim.Biophys.Acta, 1078, 1991

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