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4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
分子名称: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
著者Piper, D.E, Walker, N, Wang, Z.
登録日2014-06-20
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
5W0I
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BU of 5w0i by Molmil
CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-05-30
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
4PPI
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BU of 4ppi by Molmil
Crystal structure of Bcl-xL hexamer
分子名称: Bcl-2-like protein 1, GLYCEROL
著者Sreekanth, R, Yoon, H.S.
登録日2014-02-27
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Structural transition in Bcl-xL and its potential association with mitochondrial calcium ion transport
Sci Rep, 5, 2015
4HGR
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BU of 4hgr by Molmil
Crystal structure of E56A/K67A mutant of 2-keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate phosphohydrolase from Bacteroides thetaiotaomicron
分子名称: Acylneuraminate cytidylyltransferase, MAGNESIUM ION
著者Daughtry, K.D, Allen, K.N.
登録日2012-10-08
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis for the Divergence of Substrate Specificity and Biological Function within HAD Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis.
Biochemistry, 52, 2013
4HGN
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BU of 4hgn by Molmil
Crystal Structure of 2-keto-3-deoxyoctulosonate 8-phosphate PHOSPHOHYDROLASE from Bacteroides thetaiotaomicron
分子名称: 2-keto-3-deoxy-D-manno-octulosonate 8-phosphate phosphohydrolase, FORMIC ACID, MAGNESIUM ION
著者Daughtry, K.D, Allen, K.N.
登録日2012-10-08
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for the Divergence of Substrate Specificity and Biological Function within HAD Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis.
Biochemistry, 52, 2013
7F3U
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BU of 7f3u by Molmil
Cryo-EM structure of human TMEM120A in the CoASH-free state
分子名称: Transmembrane protein 120A
著者Rong, Y, Gao, Y.W, Song, D.F, Zhao, Y, Liu, Z.F.
登録日2021-06-17
公開日2021-06-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
7F3T
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BU of 7f3t by Molmil
Cryo-EM structure of human TMEM120A in the CoASH-bound state
分子名称: COENZYME A, Transmembrane protein 120A
著者Song, D.F, Rong, Y, Liu, Z.F.
登録日2021-06-17
公開日2021-06-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
4HGP
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BU of 4hgp by Molmil
Crystal Structure of 2-keto-3-deoxyoctulosonate 8-phosphate phosphohydrolase from Haemophilus influenzae in complex with transition state mimic
分子名称: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase KdsC, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, ...
著者Daughtry, K.D, Allen, K.N.
登録日2012-10-08
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for the Divergence of Substrate Specificity and Biological Function within HAD Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis.
Biochemistry, 52, 2013
7F3P
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BU of 7f3p by Molmil
Crystal structure of a nadp-dependent alcohol dehydrogenase mutant in apo form
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent isopropanol dehydrogenase, ZINC ION
著者Han, X, Bi, Y, Wei, H.L, Gao, J, Li, Q, Qu, G, Sun, Z.T, Liu, W.D.
登録日2021-06-16
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Unlocking the Stereoselectivity and Substrate Acceptance of Enzymes: Proline-Induced Loop Engineering Test.
Angew.Chem.Int.Ed.Engl., 61, 2022
4HGO
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BU of 4hgo by Molmil
2-keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate phosphohydrolase from Bacteroides thetaiotaomicron in complex with transition state mimic
分子名称: MAGNESIUM ION, acylneuraminate cytidylyltransferase, deamino-beta-neuraminic acid, ...
著者Daughtry, K.D, Allen, K.N.
登録日2012-10-08
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for the Divergence of Substrate Specificity and Biological Function within HAD Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis.
Biochemistry, 52, 2013
4JR6
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BU of 4jr6 by Molmil
Crystal structure of DsbA from Mycobacterium tuberculosis (reduced)
分子名称: Possible conserved membrane or secreted protein, SULFATE ION
著者Wang, L.
登録日2013-03-21
公開日2013-07-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c.
Protein Cell, 4, 2013
4JIA
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BU of 4jia by Molmil
JAK2 kinase (JH1 domain) in complex with compound 9
分子名称: 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2
著者Eigenbrot, C, Ultsch, M.
登録日2013-03-05
公開日2013-08-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4HGQ
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BU of 4hgq by Molmil
Crystal structure of E56A mutant of 2-keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate phosphohydrolase from Bacteroides thetaiotaomicron
分子名称: Acylneuraminate cytidylyltransferase, MAGNESIUM ION
著者Daughtry, K.D, Allen, K.N.
登録日2012-10-08
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural Basis for the Divergence of Substrate Specificity and Biological Function within HAD Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis.
Biochemistry, 52, 2013
4JI9
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BU of 4ji9 by Molmil
JAK2 kinase (JH1 domain) in complex with TG101209
分子名称: N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2
著者Eigenbrot, C, Ultsch, M.
登録日2013-03-05
公開日2013-08-07
最終更新日2013-08-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JR4
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BU of 4jr4 by Molmil
Crystal structure of Mtb DsbA (Oxidized)
分子名称: Possible conserved membrane or secreted protein, SULFATE ION
著者Wang, L.
登録日2013-03-21
公開日2013-07-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c.
Protein Cell, 4, 2013
8IAK
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BU of 8iak by Molmil
Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3A-N71A) complex
分子名称: PYRIDOXAL-5'-PHOSPHATE, Protein ORM2, Serine palmitoyltransferase 2, ...
著者Xie, T, Gong, X.
登録日2023-02-08
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
8IAJ
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BU of 8iaj by Molmil
Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3A) complex
分子名称: N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, Protein ORM2, ...
著者Xie, T, Gong, X.
登録日2023-02-08
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
8IAM
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BU of 8iam by Molmil
Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3D) complex
分子名称: Chimera of Long chain base biosynthesis protein 1 and Serine palmitoyltransferase 1, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, ...
著者Xie, T, Gong, X.
登録日2023-02-08
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
7XDQ
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BU of 7xdq by Molmil
Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens
分子名称: Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose
著者Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2022-03-28
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7XDR
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BU of 7xdr by Molmil
Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens
分子名称: Glucosylglycerol phosphorylase
著者Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2022-03-28
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
4NSX
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BU of 4nsx by Molmil
Crystal Structure of the Utp21 tandem WD Domain
分子名称: CITRATE ANION, U3 small nucleolar RNA-associated protein 21
著者Zhang, C, Ye, K.
登録日2013-11-29
公開日2014-02-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Utp21 Tandem WD Domain Provides Insight into the Organization of the UTPB Complex Involved in Ribosome Synthesis
Plos One, 9, 2014
6AY5
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CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
分子名称: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6AY3
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BU of 6ay3 by Molmil
CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide)
分子名称: 1,2-ETHANEDIOL, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, CREB-binding protein, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6C6P
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BU of 6c6p by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598
分子名称: (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6N
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Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019

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