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4D90
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BU of 4d90 by Molmil
Crystal Structure of Del-1 EGF domains
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Chen, Q, Schurpf, T, Springer, T, Wang, J.
登録日2012-01-11
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献The RGD finger of Del-1 is a unique structural feature critical for integrin binding.
Faseb J., 26, 2012
8EKX
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BU of 8ekx by Molmil
Structure of MBP-Mcl-1 in complex with MIK665
分子名称: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Judge, R.A, Judd, A.S, Souers, A.J.
登録日2022-09-22
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
4M38
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BU of 4m38 by Molmil
Crystal structure of Trypanosoma brucei protein arginine methyltransferase 7 complex with AdoHcy and histone H4 peptide
分子名称: Histone H4, Protein arginine N-methyltransferase 7, S-ADENOSYL-L-HOMOCYSTEINE
著者Wang, C, Zhu, Y, Shi, Y.
登録日2013-08-06
公開日2014-04-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural determinants for the strict monomethylation activity by trypanosoma brucei protein arginine methyltransferase 7.
Structure, 22, 2014
5DI0
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BU of 5di0 by Molmil
Crystal structure of Dln1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
登録日2015-08-31
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
6CDH
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BU of 6cdh by Molmil
Crystal structure of ferrous form of the Cl-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor
分子名称: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
著者Liu, A, Li, J, Shin, I.
登録日2018-02-08
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6NAE
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BU of 6nae by Molmil
Crystal Structure of Ebola zaire GP protein with bound ARN0074898
分子名称: (1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-05
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of Adamantane Carboxamides as Ebola Virus Cell Entry and Glycoprotein Inhibitors.
Acs Med.Chem.Lett., 11, 2020
8DEG
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BU of 8deg by Molmil
Crystal structure of DLK in complex with inhibitor DN0011197
分子名称: Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
著者Srivastava, A, Lexa, K, de Vicente, J.
登録日2022-06-20
公開日2022-12-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis.
J.Med.Chem., 65, 2022
3LFM
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BU of 3lfm by Molmil
Crystal structure of the fat mass and obesity associated (FTO) protein reveals basis for its substrate specificity
分子名称: 3-methylthymidine, FE (II) ION, N-OXALYLGLYCINE, ...
著者Chai, J, Han, Z.
登録日2010-01-18
公開日2010-04-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the FTO protein reveals basis for its substrate specificity
Nature, 464, 2010
8HGW
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BU of 8hgw by Molmil
Crystal structure of MehpH in complex with MBP
分子名称: 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.80001163 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
8HGV
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BU of 8hgv by Molmil
Crystal structure of monoalkyl phthalate hydrolase MehpH
分子名称: Monoethylhexylphthalate hydrolase
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.30006242 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
7VLX
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BU of 7vlx by Molmil
Cryo-EM structures of Listeria monocytogenes man-PTS
分子名称: Mannose/fructose/sorbose family PTS transporter subunit IIC, PTS mannose family transporter subunit IID, alpha-D-mannopyranose
著者Wang, J.W.
登録日2021-10-05
公開日2021-12-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural Basis of Pore Formation in the Mannose Phosphotransferase System by Pediocin PA-1.
Appl.Environ.Microbiol., 88, 2022
7VLY
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BU of 7vly by Molmil
Cryo-EM structure of Listeria monocytogenes man-PTS complexed with pediocin PA-1
分子名称: Bacteriocin pediocin PA-1, Mannose/fructose/sorbose family PTS transporter subunit IIC, PTS mannose family transporter subunit IID, ...
著者Wang, J.W.
登録日2021-10-05
公開日2021-12-01
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Structural Basis of Pore Formation in the Mannose Phosphotransferase System by Pediocin PA-1.
Appl.Environ.Microbiol., 88, 2022
7VI9
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BU of 7vi9 by Molmil
Cryo-EM structure of bacteriophage lambda procapsid at 5.03 Angstrom
分子名称: Major capsid protein
著者Wang, J.W.
登録日2021-09-26
公開日2021-12-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (5.03 Å)
主引用文献Structural basis of bacteriophage lambda capsid maturation.
Structure, 30, 2022
7VII
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BU of 7vii by Molmil
cryoEM structure of bacteriophage lambda capsid at 5.6 Angstrom
分子名称: Capsid decoration protein, Major capsid protein
著者Wang, J.W.
登録日2021-09-27
公開日2021-12-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structural basis of bacteriophage lambda capsid maturation.
Structure, 30, 2022
7VIA
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BU of 7via by Molmil
Focused refinement of asymmetric unit of bacteriophage lambda procapsid at 3.88 Angstrom
分子名称: Major capsid protein
著者Wang, J.W.
登録日2021-09-26
公開日2021-12-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Structural basis of bacteriophage lambda capsid maturation.
Structure, 30, 2022
7VIK
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BU of 7vik by Molmil
Asymmetric unit of cryoEM structure of bacteriophage lambda capsid at 3.76 Angstrom
分子名称: Capsid decoration protein, Major capsid protein
著者Wang, J.W.
登録日2021-09-27
公開日2021-12-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structural basis of bacteriophage lambda capsid maturation.
Structure, 30, 2022
7N7P
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BU of 7n7p by Molmil
Cryo-EM structure of human TMEM120A
分子名称: COENZYME A, Ion channel TACAN
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-06-10
公開日2021-09-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献TMEM120A is a coenzyme A-binding membrane protein with structural similarities to ELOVL fatty acid elongase.
Elife, 10, 2021
5CEO
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BU of 5ceo by Molmil
DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile
分子名称: 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
7N85
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BU of 7n85 by Molmil
Inner ring spoke from the isolated yeast NPC
分子名称: Nucleoporin ASM4, Nucleoporin NIC96, Nucleoporin NSP1, ...
著者Akey, C.W, Rout, M.P, Ouch, C, Echevarria, I, Fernandez-Martinez, J, Nudelman, I.
登録日2021-06-13
公開日2022-01-26
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Comprehensive structure and functional adaptations of the yeast nuclear pore complex.
Cell, 185, 2022
7N84
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BU of 7n84 by Molmil
Double nuclear outer ring from the isolated yeast NPC
分子名称: Nucleoporin 145c, Nucleoporin NUP120, Nucleoporin NUP133, ...
著者Akey, C.W, Rout, M.P, Ouch, C, Echevarria, I, Fernandez-Martinez, J, Nudelman, I.
登録日2021-06-13
公開日2022-01-26
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (11.6 Å)
主引用文献Comprehensive structure and functional adaptations of the yeast nuclear pore complex.
Cell, 185, 2022
5CEN
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BU of 5cen by Molmil
Crystal structure of DLK (kinase domain)
分子名称: Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
7JTP
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BU of 7jtp by Molmil
Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
分子名称: Elongin-B, Elongin-C, GLYCEROL, ...
著者Kottur, J, Jain, R, Aggarwal, A.K.
登録日2020-08-18
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
7JTO
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BU of 7jto by Molmil
Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
分子名称: 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ...
著者Kottur, J, Jain, R, Aggarwal, A.K.
登録日2020-08-18
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
6VQF
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BU of 6vqf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST
分子名称: (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2020-02-05
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist.
Acs Med.Chem.Lett., 11, 2020
5CEP
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BU of 5cep by Molmil
DLK in complex with inhibitor N-(1-isopropyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
分子名称: Mitogen-activated protein kinase kinase kinase 12, N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015

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