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1BZY
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BU of 1bzy by Molmil
HUMAN HGPRTASE WITH TRANSITION STATE INHIBITOR
分子名称: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER, ...
著者Shi, W, Li, C, Tyler, P.C, Furneaux, R.H, Grubmeyer, C, Schramm, V.L, Almo, S.C.
登録日1998-11-05
公開日1999-06-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The 2.0 A structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with a transition-state analog inhibitor.
Nat.Struct.Biol., 6, 1999
6JQB
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BU of 6jqb by Molmil
The structure of maltooligosaccharide-forming amylase from Pseudomonas saccharophila STB07 with pseudo-maltoheptaose
分子名称: 1,2-ETHANEDIOL, ACARBOSE DERIVED HEPTASACCHARIDE, CALCIUM ION, ...
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
登録日2019-03-30
公開日2020-04-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
1SHX
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BU of 1shx by Molmil
Ephrin A5 ligand structure
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin-A5
著者Himanen, J.P, Barton, W.A, Nikolov, D.B, Jeffrey, P.D.
登録日2004-02-26
公開日2005-04-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Three distinct molecular surfaces in ephrin-A5 are essential for a functional interaction with EphA3.
J.Biol.Chem., 280, 2005
3CVD
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BU of 3cvd by Molmil
Regulation of Protein Function: Crystal Packing Interfaces and Conformational Dimerization
分子名称: COPPER (I) ION, Plastocyanin, ZINC ION
著者Crowley, P.B, Matias, P.M, Mi, H, Firbank, S.J, Banfield, M.J, Dennison, C.
登録日2008-04-18
公開日2008-07-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Regulation of protein function: crystal packing interfaces and conformational dimerization.
Biochemistry, 47, 2008
5ZTL
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BU of 5ztl by Molmil
Non-cryogenic structure of light-driven chloride pump having an NTQ motif
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Yun, J.H, Park, S.Y, Liu, H, Lee, W.
登録日2018-05-04
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
8GZF
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BU of 8gzf by Molmil
Crystal Structure of METTL9-SAH
分子名称: Protein-L-histidine N-pros-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Zhao, W.T, Li, H.T.
登録日2022-09-26
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis for protein histidine N1-specific methylation of the "His-x-His" motifs by METTL9.
Cell Insight, 2, 2023
5ZTK
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BU of 5ztk by Molmil
Synchrotron structure of light-driven chloride pump having an NTQ motif
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Yun, J.H, Park, J.H, Park, S.Y, Lee, W.
登録日2018-05-04
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
8GZE
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BU of 8gze by Molmil
Crystal Structure of human METTL9-SAH-SLC39A7 peptide complex
分子名称: Protein-L-histidine N-pros-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, Zinc transporter SLC39A7
著者Zhao, W.T, Li, H.T.
登録日2022-09-26
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Molecular basis for protein histidine N1-specific methylation of the "His-x-His" motifs by METTL9.
Cell Insight, 2, 2023
7RUN
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BU of 7run by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.
分子名称: 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret
著者Lee, C.C, Spraggon, G.
登録日2021-08-17
公開日2022-01-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
3CQU
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BU of 3cqu by Molmil
Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor
分子名称: Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase
著者Pandit, J.
登録日2008-04-03
公開日2008-05-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and structure based optimization of novel Akt inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
1CN4
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BU of 1cn4 by Molmil
ERYTHROPOIETIN COMPLEXED WITH EXTRACELLULAR DOMAINS OF ERYTHROPOIETIN RECEPTOR
分子名称: PROTEIN (ERYTHROPOIETIN RECEPTOR), PROTEIN (ERYTHROPOIETIN)
著者Stroud, R.M, Reid, S.W.
登録日1999-05-25
公開日1999-08-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
7ZED
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BU of 7zed by Molmil
Solution structure of thanatin-like derivative 7 in complex with E.coli LptA mutant Q62L
分子名称: Lipopolysaccharide export system protein LptA, Thanatin-like derivative
著者Moehle, K, Zerbe, O.
登録日2022-03-31
公開日2023-06-07
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Peptidomimetic antibiotics disrupt the lipopolysaccharide transport bridge of drug-resistant Enterobacteriaceae.
Sci Adv, 9, 2023
7ZAX
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BU of 7zax by Molmil
Solution structure of thanatin-like derivative 7 in complex with K. pneumoniae LptA
分子名称: Lipopolysaccharide export system protein LptA, Thanatin-like derivative
著者Oi, K.K, Moehle, K, Zerbe, O.
登録日2022-03-22
公開日2023-06-07
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Peptidomimetic antibiotics disrupt the lipopolysaccharide transport bridge of drug-resistant Enterobacteriaceae.
Sci Adv, 9, 2023
8HF2
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BU of 8hf2 by Molmil
Cryo-EM structure of WeiTsing
分子名称: PRA1 family protein
著者Qin, L, Tang, L.H, Chen, Y.H.
登録日2022-11-09
公開日2023-06-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献WeiTsing, a pericycle-expressed ion channel, safeguards the stele to confer clubroot resistance.
Cell, 186, 2023
6JAU
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BU of 6jau by Molmil
The complex structure of Pseudomonas aeruginosa MucA/MucB.
分子名称: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R.
登録日2019-01-25
公開日2020-01-29
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa.
Commun Biol, 3, 2020
6QIG
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BU of 6qig by Molmil
Metalloproteinase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kim, H.J, Emsley, J.
登録日2019-01-18
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure and substrate-induced activation of ADAMTS13.
Nat Commun, 10, 2019
8HDO
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BU of 8hdo by Molmil
Structure of A2BR bound to synthetic agonists BAY 60-6583
分子名称: 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Adenosine A2b receptor, CHOLESTEROL, ...
著者Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
登録日2022-11-05
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
8HDP
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BU of 8hdp by Molmil
Structure of A2BR bound to endogenous agonists adenosine
分子名称: ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ...
著者Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
登録日2022-11-05
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
6VHG
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BU of 6vhg by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
分子名称: 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ...
著者Lee, C.C, Spraggon, G.
登録日2020-01-09
公開日2020-02-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020
5I25
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BU of 5i25 by Molmil
human recombinant coagulation FXI in complex with a peptide derived from human high molecular weight kininogen (HKP)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASN-PRO-ILE-SER-ASP-PHE-PRO-ASP, Coagulation factor XI
著者Hall, G.A.F, Wong, S.S, Emsley, J.
登録日2016-02-08
公開日2016-04-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A novel DFP tripeptide motif interacts with the coagulation factor XI apple 2 domain.
Blood, 127, 2016
6J1L
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BU of 6j1l by Molmil
Crystal Structure Analysis of the ROR gamma(C455E)
分子名称: 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma
著者zhang, Y, Li, C.C, wu, X.S.
登録日2018-12-28
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
5Z1S
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BU of 5z1s by Molmil
Crystal Structure Analysis of the BRD4(1)
分子名称: 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日2017-12-28
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
6JOY
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BU of 6joy by Molmil
The X-ray Crystallographic Structure of Branching Enzyme from Rhodothermus obamensis STB05
分子名称: 1,4-alpha-glucan branching enzyme GlgB
著者Li, Z.F, Ban, X.F, Jiang, H.M, Wang, Z, Jin, T.C, Li, C.M, Gu, Z.B.
登録日2019-03-25
公開日2020-03-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Flexible Loop in Carbohydrate-Binding Module 48 Allosterically Modulates Substrate Binding of the 1,4-alpha-Glucan Branching Enzyme.
J.Agric.Food Chem., 69, 2021
5Z1R
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BU of 5z1r by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日2017-12-28
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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

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