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5VGS
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BU of 5vgs by Molmil
Crystal structure of lachrymatory factor synthase from Allium cepa in complex with crotyl alcohol
分子名称: (2E)-but-2-en-1-ol, (2Z)-but-2-en-1-ol, Lachrymatory-factor synthase
著者Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M.
登録日2017-04-11
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa.
ACS Chem. Biol., 12, 2017
5VGL
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BU of 5vgl by Molmil
Crystal structure of lachrymatory factor synthase from Allium cepa
分子名称: Lachrymatory-factor synthase
著者Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M.
登録日2017-04-11
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa.
ACS Chem. Biol., 12, 2017
2MDR
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BU of 2mdr by Molmil
Solution structure of the third double-stranded RNA-binding domain (dsRBD3) of human adenosine-deaminase ADAR1
分子名称: Double-stranded RNA-specific adenosine deaminase
著者Barraud, P, Banerjee, S, Mohamed, W.I, Jantsch, M.F, Allain, F.H.
登録日2013-09-17
公開日2014-04-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A bimodular nuclear localization signal assembled via an extended double-stranded RNA-binding domain acts as an RNA-sensing signal for transportin 1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QCA
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BU of 4qca by Molmil
Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant R167AD4
分子名称: CHLORIDE ION, GLYCEROL, POTASSIUM ION, ...
著者Sartmatova, D, Nash, T, Schormann, N, Nuth, M, Ricciardi, R, Banerjee, S, Chattopadhyay, D.
登録日2014-05-09
公開日2015-05-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallization and preliminary X-ray diffraction analysis of three recombinant mutants of Vaccinia virus uracil DNA glycosylase.
Acta Crystallogr.,Sect.F, 69, 2013
4QCB
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BU of 4qcb by Molmil
Protein-DNA complex of Vaccinia virus D4 with double-stranded non-specific DNA
分子名称: 5'-D(*GP*CP*AP*AP*AP*CP*GP*TP*TP*TP*GP*C)-3', GLYCEROL, Uracil-DNA glycosylase
著者Schormann, N, Banerjee, S, Ricciardi, R, Chattopadhyay, D.
登録日2014-05-09
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Binding of undamaged double stranded DNA to vaccinia virus uracil-DNA Glycosylase.
BMC Struct. Biol., 15, 2015
4QX6
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BU of 4qx6 by Molmil
CRYSTAL STRUCTURE OF GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM STREPTOCOCCUS AGALACTIAE NEM316 at 2.46 ANGSTROM RESOLUTION
分子名称: 1,2-ETHANEDIOL, Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Ayres, C.A, Schormann, N, Banerjee, S, Chattopadhyay, D.
登録日2014-07-18
公開日2014-10-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure of Streptococcus agalactiae glyceraldehyde-3-phosphate dehydrogenase holoenzyme reveals a novel surface.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4RUA
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BU of 4rua by Molmil
Crystal structure of Y-family DNA polymerase Dpo4 bypassing a MeFapy-dG adduct
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase IV, ...
著者Patra, A, Banerjee, S, Stone, M.P, Egli, M.
登録日2014-11-18
公開日2015-08-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Structural Basis for Error-Free Bypass of the 5-N-Methylformamidopyrimidine-dG Lesion by Human DNA Polymerase eta and Sulfolobus solfataricus P2 Polymerase IV.
J.Am.Chem.Soc., 137, 2015
3RR3
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BU of 3rr3 by Molmil
Structure of (R)-flurbiprofen bound to mCOX-2
分子名称: (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Oates, J.A, Marnett, L.J.
登録日2011-04-28
公開日2011-11-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.842 Å)
主引用文献(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
3Q7D
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BU of 3q7d by Molmil
Structure of (R)-naproxen bound to mCOX-2.
分子名称: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Marnett, L.J.
登録日2011-01-04
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
6X1E
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BU of 6x1e by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5l
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-05-18
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1C
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BU of 6x1c by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5j
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-05-18
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1F
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BU of 6x1f by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5m
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-05-18
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6DHK
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BU of 6dhk by Molmil
Bovine glutamate dehydrogenase complexed with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase 1, mitochondrial
著者Smith, T.J.
登録日2018-05-20
公開日2018-07-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation.
Biochemistry, 42, 2003
5ZTN
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BU of 5ztn by Molmil
The crystal structure of human DYRK2 in complex with Curcumin
分子名称: (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Ji, C.G, Xiao, J.Y.
登録日2018-05-04
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Ancient drug curcumin impedes 26S proteasome activity by direct inhibition of dual-specificity tyrosine-regulated kinase 2.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7LZ8
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BU of 7lz8 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5t
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2021-03-09
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
7LZ7
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BU of 7lz7 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5k
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2021-03-09
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6BR1
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BU of 6br1 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-11-29
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRF
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BU of 6brf by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-11-30
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BS2
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BU of 6bs2 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b
分子名称: 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-12-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRY
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BU of 6bry by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a
分子名称: 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2017-12-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
4NYQ
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BU of 4nyq by Molmil
In-vivo crystallisation (midguts of a viviparous cockroach) and structure at 1.2 A resolution of a glycosylated, lipid-binding, lipocalin-like protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Coussens, N.P, Gallat, F.-X, Ramaswamy, S, Yagi, K, Tobe, S.S, Stay, B, Chavas, L.M.G.
登録日2013-12-11
公開日2014-01-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of a heterogeneous, glycosylated, lipid-bound, in vivo-grown protein crystal at atomic resolution from the viviparous cockroach Diploptera punctata.
Iucrj, 3, 2016
4NYR
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BU of 4nyr by Molmil
In-vivo crystallisation (midguts of a viviparous cockroach) and structure at 2.5 A resolution of a glycosylated, lipid-binding, lipocalin-like protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Coussens, N.P, Gallat, F.-X, Ramaswamy, S, Yagi, K, Tobe, S.S, Stay, B, Chavas, L.M.G.
登録日2013-12-11
公開日2014-01-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of a heterogeneous, glycosylated, lipid-bound, in vivo-grown protein crystal at atomic resolution from the viviparous cockroach Diploptera punctata.
Iucrj, 3, 2016
6K0J
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BU of 6k0j by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor
分子名称: 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Tiantian, W, Xiao, J.
登録日2019-05-06
公開日2019-11-20
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Inhibition of dual-specificity tyrosine phosphorylation-regulated kinase 2 perturbs 26S proteasome-addicted neoplastic progression.
Proc.Natl.Acad.Sci.USA, 116, 2019
7NVJ
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BU of 7nvj by Molmil
Crystal structure of UFC1 Y110A & F121A
分子名称: GLYCEROL, Ubiquitin-fold modifier-conjugating enzyme 1
著者Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R.
登録日2021-03-15
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for UFM1 transfer from UBA5 to UFC1.
Nat Commun, 12, 2021
7NVK
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Crystal structure of UBA5 fragment fused to the N-terminus of UFC1
分子名称: Ubiquitin-like modifier-activating enzyme 5,Ubiquitin-fold modifier-conjugating enzyme 1
著者Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R.
登録日2021-03-15
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Structural basis for UFM1 transfer from UBA5 to UFC1.
Nat Commun, 12, 2021

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