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8B7P
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BU of 8b7p by Molmil
Crystal structure of an AA9 LPMO from Aspergillus nidulans, AnLPMOC
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Endo-beta-1,4-glucanase D
著者Males, A, Rafael Fanchini Terrasan, C, Davies, G.J, Walton, P.H.
登録日2022-09-30
公開日2023-10-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Characterisation of lytic polysaccharide monooxygenases from Aspergillus nidulans
To Be Published
5N0G
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BU of 5n0g by Molmil
Crystal Structure of CobH T85A (precorrin-8x methyl mutase) complexed with C5 allyl-HBA
分子名称: 3-[(1~{R},2~{S},3~{S},4~{Z},7~{S},8~{S},9~{Z},15~{R},17~{R},18~{R},19~{R})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid, GLYCEROL, Precorrin-8X methylmutase
著者Nemoto-Smith, E.H, Lawrence, A.D, Brown, D.G, Warren, M.J.
登録日2017-02-02
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Novel cobalamin analogues and their application in the trafficking of cobalamin in bacteria, worms and plants
To Be Published
4KBC
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BU of 4kbc by Molmil
CK1d in complex with {4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}METHANOL inhibitor
分子名称: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SULFATE ION, ...
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KB8
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BU of 4kb8 by Molmil
CK1d in complex with 1-{4-[3-(4-FLUOROPHENYL)-1-METHYL-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}-N-METHYLMETHANAMINE ligand
分子名称: 1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine, Casein kinase I isoform delta, N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine, ...
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KBA
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BU of 4kba by Molmil
CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor
分子名称: 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KBK
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BU of 4kbk by Molmil
CK1d in complex with (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine inhibitor
分子名称: (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
5TTS
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BU of 5tts by Molmil
Jak3 with covalent inhibitor 4
分子名称: 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-11-04
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTV
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BU of 5ttv by Molmil
Jak3 with covalent inhibitor 6
分子名称: N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-11-04
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTU
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BU of 5ttu by Molmil
Jak3 with covalent inhibitor 7
分子名称: 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-11-04
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TOZ
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BU of 5toz by Molmil
JAK3 with covalent inhibitor PF-06651600
分子名称: 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-10-19
公開日2016-11-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein
著者QCRG Structural Biology Consortium
登録日2020-10-09
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
2X5F
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BU of 2x5f by Molmil
Crystal structure of the methicillin-resistant Staphylococcus aureus Sar2028, an aspartate_tyrosine_phenylalanine pyridoxal-5'-phosphate dependent aminotransferase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASPARTATE_TYROSINE_PHENYLALANINE PYRIDOXAL-5' PHOSPHATE-DEPENDENT AMINOTRANSFERASE, MAGNESIUM ION, ...
著者Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H.
登録日2010-02-08
公開日2010-07-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genom., 11, 2010
2X3F
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BU of 2x3f by Molmil
Crystal Structure of the Methicillin-Resistant Staphylococcus aureus Sar2676, a Pantothenate Synthetase.
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PANTHOTHENATE SYNTHETASE, SULFATE ION
著者Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H.
登録日2010-01-24
公開日2010-07-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genom., 11, 2010
1OJY
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BU of 1ojy by Molmil
Decay accelerating factor (cd55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK2
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BU of 1ok2 by Molmil
Decay accelerating factor (CD55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OJV
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BU of 1ojv by Molmil
Decay accelerating factor (CD55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK1
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BU of 1ok1 by Molmil
Decay accelerating factor (cd55) : the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK3
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BU of 1ok3 by Molmil
Decay accelerating factor (cd55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK9
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BU of 1ok9 by Molmil
Decay accelerating factor (CD55): The structure of an intact human complement regulator.
分子名称: ACETATE ION, CHLORIDE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-21
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1H55
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BU of 1h55 by Molmil
STRUCTURE OF HORSERADISH PEROXIDASE C1A COMPOUND II
分子名称: ACETATE ION, CALCIUM ION, OXYGEN ATOM, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-18
公開日2002-06-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5K
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BU of 1h5k by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (78-89% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-22
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5I
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BU of 1h5i by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (56-67% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-22
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5E
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BU of 1h5e by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (11-22% dose)
分子名称: ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-21
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5G
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BU of 1h5g by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (33-44% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-21
公開日2002-05-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
1H5H
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BU of 1h5h by Molmil
X-ray induced reduction of horseradish peroxidase C1A Compound III (44-56% dose)
分子名称: ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A.
登録日2001-05-22
公開日2002-06-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002

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