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8GVV
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BU of 8gvv by Molmil
PTPN21 PTP domain C1108S mutant
分子名称: IODIDE ION, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-15
公開日2023-09-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GXE
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BU of 8gxe by Molmil
PTPN21 FERM PTP complex
分子名称: CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-19
公開日2023-09-27
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GTH
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BU of 8gth by Molmil
Crystal strucuture of cyt c551 from anoxygenic phototrophic bacterium Roseiflexus castenholzii
分子名称: Cytochrome c class I, HEME C
著者Min, Z.Z, Meng, H.L, Xu, X.L.
登録日2022-09-08
公開日2023-09-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A cytochrome c 551 mediates the cyclic electron transport chain of the anoxygenic phototrophic bacterium Roseiflexus castenholzii.
Plant Commun., 5, 2024
3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
分子名称: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
著者Park, H, Laughlin, J.D, LoGrasso, P.V.
登録日2011-12-20
公開日2012-02-01
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
5ZTY
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BU of 5zty by Molmil
Crystal structure of human G protein coupled receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Li, X.T, Hua, T, Wu, L.J, Liu, Z.J.
登録日2018-05-05
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Human Cannabinoid Receptor CB2
Cell, 176, 2019
3ELM
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BU of 3elm by Molmil
Crystal Structure of MMP-13 Complexed with Inhibitor 24f
分子名称: (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ...
著者Kulathila, R, Monovich, L, Koehn, J.
登録日2008-09-22
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13
J.Med.Chem., 52, 2009
7TTD
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BU of 7ttd by Molmil
Tubulin-RB3_SLD in complex with compound 12e
分子名称: 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者White, S.W, Yun, M.
登録日2022-02-01
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
7TTF
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BU of 7ttf by Molmil
Tubulin-RB3_SLD in complex with compound 12k
分子名称: 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者White, S.W, Yun, M.
登録日2022-02-01
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
7TTE
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BU of 7tte by Molmil
Tubulin-RB3_SLD in complex with compound 12j
分子名称: 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者White, S.W, Yun, M.
登録日2022-02-01
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
5XOR
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BU of 5xor by Molmil
Crystal structure of N-terminal replicase protein of porcine circovirus type 2
分子名称: Rep protein
著者Song, Y, Peng, G.
登録日2017-05-30
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Crystal Structure of the Dimerized N Terminus of Porcine Circovirus Type 2 Replicase Protein Reveals a Novel Antiviral Interface
J. Virol., 92, 2018
3VEV
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BU of 3vev by Molmil
Glucokinase in complex with an activator and glucose
分子名称: (2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide, Glucokinase, SODIUM ION, ...
著者Liu, S.
登録日2012-01-09
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
7VPF
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BU of 7vpf by Molmil
Crystal structure of a novel putative sugar isomerase from the psychrophilic bacterium Paenibacillus sp. R4
分子名称: CALCIUM ION, Xylose isomerase, ZINC ION
著者Park, H.H, Lee, J.H, Kwon, S.
登録日2021-10-16
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.983 Å)
主引用文献Crystal structure of a novel putative sugar isomerase from the psychrophilic bacterium Paenibacillus sp. R4.
Biochem.Biophys.Res.Commun., 585, 2021
4WV9
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BU of 4wv9 by Molmil
Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane
分子名称: (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane, Soluble acetylcholine receptor
著者Talley, T.T, Bobango, J, Wu, J.M, Sankaran, B.
登録日2014-11-04
公開日2015-04-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound.
To Be Published
6ACU
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BU of 6acu by Molmil
The structure of CVA10 virus mature virion
分子名称: SPHINGOSINE, VP1, VP2, ...
著者Cui, Y.X, Zheng, Q.B, Zhu, R, Xu, L.F, Li, S.W, Yan, X.D, Zhou, Z.H, Cheng, T.
登録日2018-07-27
公開日2018-11-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and structural characterization of a therapeutic antibody against coxsackievirus A10.
Sci Adv, 4, 2018
4ZJS
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BU of 4zjs by Molmil
Crystal structure of a chimeric acetylcholine binding protein from Aplysia Californica (Ac-AChBP) containing the main immunogenic region (MIR) from the human alpha 1 subunit of the muscle nicotinic acetylcholine receptor in complex with anatoxin-A.
分子名称: 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone, Acetylcholine receptor subunit alpha,Soluble acetylcholine receptor,Acetylcholine receptor subunit alpha,Soluble acetylcholine receptor
著者Talley, T.T, Bobango, J, Wu, J, Park, J.F, Luo, J, Lindsatrom, J, Taylor, P.
登録日2015-04-29
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2301 Å)
主引用文献Main immunogenic region structure promotes binding of conformation-dependent myasthenia gravis autoantibodies, nicotinic acetylcholine receptor conformation maturation, and agonist sensitivity.
J. Neurosci., 29, 2009
3E5M
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BU of 3e5m by Molmil
Crystal structure of the HSCARG Y81A mutant
分子名称: NmrA-like family domain-containing protein 1
著者Li, Y, Meng, G, Dai, X, Luo, M, Zheng, X.
登録日2008-08-14
公開日2009-05-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献NADPH is an allosteric regulator of HSCARG
J.Mol.Biol., 387, 2009
3VF6
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BU of 3vf6 by Molmil
Glucokinase in complex with glucose and activator
分子名称: 6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid, Glucokinase, SODIUM ION, ...
著者Liu, S.
登録日2012-01-09
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
2BFE
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BU of 2bfe by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ...
著者Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
登録日2004-12-06
公開日2006-02-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
2BFD
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BU of 2bfd by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ...
著者Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
登録日2004-12-06
公開日2006-02-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
8GBN
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BU of 8gbn by Molmil
Structure of Apo Human SIRT5 P114T Mutant
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2023-02-26
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice.
Iscience, 27, 2024
8GBL
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BU of 8gbl by Molmil
Structure of Apo Human SIRT5
分子名称: NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION
著者Petrunak, E.M, Stuckey, J.A.
登録日2023-02-26
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice.
Iscience, 27, 2024
2BFC
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BU of 2bfc by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
分子名称: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
著者Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
登録日2004-12-06
公開日2006-02-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
6ACW
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BU of 6acw by Molmil
The structure of CVA10 virus procapsid particle
分子名称: VP0, VP1, VP3
著者Zhu, R, Xu, L.F, Zheng, Q.B, Cui, Y.X, Li, S.W, Yan, X.D, Zhou, Z.H, Cheng, T.
登録日2018-07-27
公開日2018-11-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Discovery and structural characterization of a therapeutic antibody against coxsackievirus A10.
Sci Adv, 4, 2018
6O9M
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BU of 6o9m by Molmil
Structure of the human apo TFIIH
分子名称: CDK-activating kinase assembly factor MAT1, General transcription factor IIH subunit 1, General transcription factor IIH subunit 2, ...
著者Yan, C.L, Dodd, T, He, Y, Tainer, J.A, Tsutakawa, S.E, Ivanov, I.
登録日2019-03-14
公開日2019-05-29
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Transcription preinitiation complex structure and dynamics provide insight into genetic diseases.
Nat.Struct.Mol.Biol., 26, 2019
3VEY
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BU of 3vey by Molmil
glucokinase in complex with glucose and ATPgS
分子名称: 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine, Glucokinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Liu, S.
登録日2012-01-09
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012

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