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4Q0D
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BU of 4q0d by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, methotrexate and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid.
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
著者Kumar, V.P, Anderson, K.S.
登録日2014-04-01
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.449 Å)
主引用文献Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase.
Bioorg.Med.Chem.Lett., 24, 2014
6LOZ
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BU of 6loz by Molmil
crystal structure of alpha-momorcharin in complex with adenine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein momordin I
著者Fan, X, Jin, T.
登録日2020-01-07
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
4GIW
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BU of 4giw by Molmil
Crystal structure of the RUN domain of human NESCA
分子名称: RUN and SH3 domain-containing protein 1
著者Bai, L, Sun, Q, Jiang, T.
登録日2012-08-09
公開日2012-08-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure and functional implication of the RUN domain of human NESCA
Protein Cell, 3, 2012
5Z7G
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BU of 5z7g by Molmil
Crystal structure of TAX1BP1 SKICH region in complex with NAP1
分子名称: 5-azacytidine-induced protein 2, GLYCEROL, Tax1-binding protein 1
著者Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q, Wang, Y.L, Hu, S.C.
登録日2018-01-28
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4RXD
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BU of 4rxd by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Risedronate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2014-12-10
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
6A3N
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BU of 6a3n by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2
分子名称: 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B.
登録日2018-06-15
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
4QNU
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BU of 4qnu by Molmil
Crystal structure of CmoB bound with Cx-SAM in P21212
分子名称: (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, PHOSPHATE ION, tRNA (mo5U34)-methyltransferase
著者Kim, J, Toro, R, Bhosle, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-06-18
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Determinants of the CmoB carboxymethyl transferase utilized for selective tRNA wobble modification.
Nucleic Acids Res., 43, 2015
4RYP
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BU of 4ryp by Molmil
Crystal Structure of T. Brucei Farnesyl Diphosphate Synthase
分子名称: Farnesyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2014-12-16
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
4IWX
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BU of 4iwx by Molmil
Rimk structure at 2.85A
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLUTAMIC ACID, Ribosomal protein S6 modification protein, ...
著者Shi, D, Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M.
登録日2013-01-24
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.854 Å)
主引用文献Structure and function of Escherichia coli RimK, an ATP-grasp fold, l-glutamyl ligase enzyme.
Proteins, 81, 2013
4G2M
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BU of 4g2m by Molmil
Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 2)
分子名称: Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase
著者Lallemand, L.A, McCarthy, J.G, McCarthy, A.A.
登録日2012-07-12
公開日2012-08-01
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A structural basis for the biosynthesis of the major chlorogenic acids found in coffee.
Plant Physiol., 160, 2012
4G0B
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BU of 4g0b by Molmil
Structure of native HCT from Coffea canephora
分子名称: Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase, SULFATE ION
著者Lallemand, L.A, McCarthy, J.G, McCarthy, A.A.
登録日2012-07-09
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A structural basis for the biosynthesis of the major chlorogenic acids found in coffee.
Plant Physiol., 160, 2012
4RXE
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BU of 4rxe by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-14
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, {[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2014-12-10
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
4FX4
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BU of 4fx4 by Molmil
Crystal structure of M. tuberculosis transcriptional regulator MOSR (Rv1049) in compex with DNA
分子名称: DNA (5'-D(*TP*AP*CP*AP*GP*AP*TP*TP*CP*GP*TP*GP*TP*AP*GP*CP*TP*AP*CP*AP*CP*GP*AP*AP*TP*CP*TP*GP*T)-3'), PHOSPHATE ION, PROBABLE TRANSCRIPTIONAL REPRESSOR PROTEIN
著者Brugarolas, P, He, C.
登録日2012-07-02
公開日2012-09-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.1001 Å)
主引用文献The Oxidation-sensing Regulator (MosR) Is a New Redox-dependent Transcription Factor in Mycobacterium tuberculosis.
J.Biol.Chem., 287, 2012
4OVF
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BU of 4ovf by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4RXC
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BU of 4rxc by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Homorisedronate BPH-6
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2014-12-09
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
4IWY
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BU of 4iwy by Molmil
SeMet-substituted RimK structure
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLUTAMIC ACID, Ribosomal protein S6 modification protein, ...
著者Shi, D, Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M.
登録日2013-01-24
公開日2013-05-08
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and function of Escherichia coli RimK, an ATP-grasp fold, l-glutamyl ligase enzyme.
Proteins, 81, 2013
6AH5
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BU of 6ah5 by Molmil
Structure of human P2X3 receptor in complex with ATP and Mg2+ ion
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Hattori, M.
登録日2018-08-16
公開日2019-06-12
最終更新日2020-12-23
実験手法X-RAY DIFFRACTION (3.819 Å)
主引用文献Molecular mechanisms of human P2X3 receptor channel activation and modulation by divalent cation bound ATP.
Elife, 8, 2019
6AH4
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BU of 6ah4 by Molmil
Structure of human P2X3 receptor in complex with ATP and Ca2+ ion
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Hattori, M.
登録日2018-08-16
公開日2019-06-12
最終更新日2020-12-23
実験手法X-RAY DIFFRACTION (3.296 Å)
主引用文献Molecular mechanisms of human P2X3 receptor channel activation and modulation by divalent cation bound ATP.
Elife, 8, 2019
6ATH
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BU of 6ath by Molmil
Cdk2/cyclin A/p27-KID-deltaC
分子名称: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ...
著者White, S.W, Yun, M.
登録日2017-08-29
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Dynamic anticipation by Cdk2/Cyclin A-bound p27 mediates signal integration in cell cycle regulation.
Nat Commun, 10, 2019
8ITE
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BU of 8ite by Molmil
Crystal structure of pE301R from African swine fever virus
分子名称: Uncharacterized protein E301R
著者Zhang, H, Li, Y.H.
登録日2023-03-22
公開日2023-09-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The E301R protein of African swine fever virus functions as a sliding clamp involved in viral genome replication.
Mbio, 14, 2023
7WK2
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BU of 7wk2 by Molmil
SARS-CoV-2 Omicron S-close
分子名称: Spike glycoprotein
著者Li, J.W, Cong, Y.
登録日2022-01-08
公開日2022-01-26
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WKA
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BU of 7wka by Molmil
SARS-CoV-2 Omicron closed state spike protein in complex with S3H3 Fab
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Hong, Q, Cong, Y.
登録日2022-01-08
公開日2022-01-26
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WK9
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BU of 7wk9 by Molmil
SARS-CoV-2 Omicron open state spike protein in complex with S3H3 Fab
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Hong, Q, Cong, Y.
登録日2022-01-08
公開日2022-02-02
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WK8
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BU of 7wk8 by Molmil
SARS-CoV-2 Omicron spike protein SD1 in complex with S3H3 Fab
分子名称: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者Hong, Q, Cong, Y.
登録日2022-01-08
公開日2022-01-26
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
6B0T
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BU of 6b0t by Molmil
Structural Insights into the Induced-fit Inhibition of Fascin by a Small Molecule
分子名称: 4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide, Fascin
著者Dey, R, Huang, X.Y.
登録日2017-09-15
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insights into the Induced-fit Inhibition of Fascin by a Small-Molecule Inhibitor.
J. Mol. Biol., 430, 2018

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