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1N5U
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X-RAY STUDY OF HUMAN SERUM ALBUMIN COMPLEXED WITH HEME
分子名称: MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SERUM ALBUMIN
著者Wardell, M, Wang, Z, Ho, J.X, Robert, J, Ruker, F, Ruble, J, Carter, D.C.
登録日2002-11-07
公開日2003-06-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Atomic Structure of Human Methemalbumin at 1.9 A
Biochem.Biophys.Res.Commun., 291, 2002
4AC1
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BU of 4ac1 by Molmil
The structure of a fungal endo-beta-N-acetylglucosaminidase from glycosyl hydrolase family 18, at 1.3A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ENDO-N-ACETYL-BETA-D-GLUCOSAMINIDASE, ...
著者Stals, I, Karkehabadi, S, Devreese, B, Kim, S, Ward, M, Sandgren, M.
登録日2011-12-12
公開日2012-08-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High Resolution Crystal Structure of the Endo-N-Acetyl-Beta- D-Glucosaminidase Responsible for the Deglycosylation of Hypocrea Jecorina Cellulases.
Plos One, 7, 2012
2IVY
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BU of 2ivy by Molmil
Crystal structure of hypothetical protein sso1404 from Sulfolobus solfataricus P2
分子名称: HYPOTHETICAL PROTEIN SSO1404
著者Yan, X, Carter, L.G, Dorward, M, Liu, H, McMahon, S.A, Oke, M, Powers, H, White, M.F, Naismith, J.H.
登録日2006-06-22
公開日2006-06-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2JG5
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BU of 2jg5 by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOFRUCTOKINASE FROM STAPHYLOCOCCUS AUREUS
分子名称: FRUCTOSE 1-PHOSPHATE KINASE
著者Yan, X, Carter, L.G, Johnson, K.A, Liu, H, Dorward, M, McMahon, S.A, Oke, M, Powers, H, Coote, P.J, Naismith, J.H.
登録日2007-02-08
公開日2007-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2JG6
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BU of 2jg6 by Molmil
CRYSTAL STRUCTURE OF A 3-METHYLADENINE DNA GLYCOSYLASE I FROM STAPHYLOCOCCUS AUREUS
分子名称: DNA-3-METHYLADENINE GLYCOSIDASE, ZINC ION
著者Yan, X, Carter, L.G, Liu, H, Dorward, M, McMahon, S.A, Johnson, K.A, Oke, M, Coote, P.J, Naismith, J.H.
登録日2007-02-08
公開日2007-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2JGT
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BU of 2jgt by Molmil
Low resolution structure of SPT
分子名称: SERINE PALMITOYLTRANSFERASE
著者Yard, B.A, Carter, L.G, Johnson, K.A, Overton, I.M, Mcmahon, S.A, Dorward, M, Liu, H, Puech, D, Oke, M, Barton, G.J, Naismith, J.H, Campopiano, D.J.
登録日2007-02-14
公開日2007-05-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis.
J.Mol.Biol., 370, 2007
2JG2
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BU of 2jg2 by Molmil
HIGH RESOLUTION STRUCTURE OF SPT WITH PLP INTERNAL ALDIMINE
分子名称: MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE
著者Yard, B.A, Carter, L.G, Johnson, K.A, Overton, I.M, Mcmahon, S.A, Dorward, M, Liu, H, Puech, D, Oke, M, Barton, G.J, Naismith, J.H, Campopiano, D.J.
登録日2007-02-07
公開日2007-05-01
最終更新日2015-11-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis.
J.Mol.Biol., 370, 2007
6W0L
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BU of 6w0l by Molmil
Henipavirus W protein interacts with 14-3-3 to modulate host gene expression
分子名称: 14-3-3 protein sigma, CALCIUM ION, Phosphorylated W peptide
著者Edwards, M, Hoad, M, Tsimbalyuk, S, Menicucci, A, Messaoudi, I, Forwood, J, Basler, C.
登録日2020-03-01
公開日2020-04-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Henipavirus W Proteins Interact with 14-3-3 To Modulate Host Gene Expression.
J.Virol., 94, 2020
4X3X
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BU of 4x3x by Molmil
The crystal structure of Arc C-lobe
分子名称: Activity-regulated cytoskeleton-associated protein
著者Zhang, W, Ward, M, Leahy, D, Worley, P.
登録日2014-12-01
公開日2015-06-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
4X3I
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BU of 4x3i by Molmil
The crystal structure of Arc N-lobe complexed with CAMK2A fragment
分子名称: Activity-regulated cytoskeleton-associated protein, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II SUBUNIT ALPHA
著者Zhang, W, Ward, M, Leahy, D, Worley, P.
登録日2014-11-30
公開日2015-06-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
4X3H
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CRYSTAL STRUCTURE OF ARC N-LOBE COMPLEXED WITH STARGAZIN PEPTIDE
分子名称: Activity-regulated cytoskeleton-associated protein, VOLTAGE-DEPENDENT CALCIUM CHANNEL GAMMA-2 SUBUNIT
著者zhang, W, ward, m, leahy, d, worley, p.
登録日2014-11-30
公開日2015-06-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
6KHT
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BU of 6kht by Molmil
Chimeric beta-glucosidase Cel1b-H13
分子名称: Glycoside hydrolase family 1
著者Niu, K.L.
登録日2019-07-16
公開日2021-01-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.305 Å)
主引用文献Chimeric beta-glucosidase Cel1b-H13
To Be Published
1AWF
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BU of 1awf by Molmil
NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
分子名称: ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER
著者Jhoti, H, Cleasby, A, Wonacott, A.
登録日1997-10-02
公開日1998-10-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
1AWH
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BU of 1awh by Molmil
NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
分子名称: 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID, ALPHA THROMBIN
著者Jhoti, H, Cleasby, A, Wonacott, A.
登録日1997-10-02
公開日1998-10-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
3NPS
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BU of 3nps by Molmil
Crystal structure of membrane-type serine protease 1 (MT-SP1) in complex with the Fab Inhibitor S4
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, S4 FAB HEAVY CHAIN, ...
著者Baharuddin, A.
登録日2010-06-29
公開日2011-07-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A reverse binding motif that contributes to specific protease inhibition by antibodies.
J.Mol.Biol., 415, 2012
3SO3
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BU of 3so3 by Molmil
Structures of Fab-Protease Complexes Reveal a Highly Specific Non-Canonical Mechanism of Inhibition.
分子名称: A11 FAB heavy chain, A11 FAB light chain, GLYCEROL, ...
著者Schneider, E.L, Farady, C.J, Egea, P.F, Goetz, D.H, Baharuddin, A, Craik, C.S.
登録日2011-06-29
公開日2012-06-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A reverse binding motif that contributes to specific protease inhibition by antibodies.
J.Mol.Biol., 415, 2012
6PU9
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BU of 6pu9 by Molmil
Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus
分子名称: 1,2-ETHANEDIOL, Acetyltransferase, CHLORIDE ION
著者Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-07-17
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species.
Protein Sci., 29, 2020
6PUA
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BU of 6pua by Molmil
The 2.0 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Kim, Y, Maltseva, N, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-07-18
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species.
Protein Sci., 29, 2020
8B7P
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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
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
8FJZ
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Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
分子名称: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-20
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP3
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PKCeta kinase domain in complex with compound 11
分子名称: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type
著者Johnson, E.
登録日2023-01-03
公開日2023-04-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FH4
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BU of 8fh4 by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
分子名称: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-13
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.827 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FKO
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BU of 8fko by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
分子名称: (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-21
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP1
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PKCeta kinase domain in complex with compound 2
分子名称: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type
著者Johnson, E.
登録日2023-01-03
公開日2023-04-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023

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