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3TCZ
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BU of 3tcz by Molmil
Human Pin1 bound to cis peptidomimetic inhibitor
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Zhang, M, Zhang, Y.
登録日2011-08-09
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code.
Acs Chem.Biol., 7, 2012
7JV8
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BU of 7jv8 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 35
分子名称: 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ...
著者Gibbons, P, Du, X.
登録日2020-08-20
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
3V7T
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BU of 3v7t by Molmil
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
分子名称: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
著者Zhang, Y, Colonna, C, Michot, N.
登録日2011-12-22
公開日2012-03-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Bioorg.Med.Chem.Lett., 22, 2012
7WKH
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BU of 7wkh by Molmil
the grass carp IFNa
分子名称: Interferon
著者Zou, J, WANG, J, Wang, Z.
登録日2022-01-09
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and Functional Analyses of Type I IFNa Shed Light Into Its Interaction With Multiple Receptors in Fish.
Front Immunol, 13, 2022
3T34
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BU of 3t34 by Molmil
Arabidopsis thaliana dynamin-related protein 1A (AtDRP1A) in prefission state
分子名称: Dynamin-related protein 1A, LINKER, GUANOSINE-5'-DIPHOSPHATE, ...
著者Yan, L.M, Ma, Y.Y, Sun, Y.N, Lou, Z.Y.
登録日2011-07-24
公開日2012-06-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.405 Å)
主引用文献Structural basis for mechanochemical role of Arabidopsis thaliana dynamin-related protein in membrane fission
J Mol Cell Biol, 3, 2011
3WB9
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BU of 3wb9 by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
分子名称: Diaminopimelate dehydrogenase, GLYCEROL
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-14
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBF
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BU of 3wbf by Molmil
Crystal Structure of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum co-crystallized with NADP+ and DAP
分子名称: 2,6-DIAMINOPIMELIC ACID, Diaminopimelate dehydrogenase, GLYCEROL, ...
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-15
公開日2014-03-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBB
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BU of 3wbb by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
分子名称: Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-14
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
7WI0
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BU of 7wi0 by Molmil
SARS-CoV-2 Omicron variant spike in complex with three human neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
著者Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
登録日2022-01-01
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
7WHZ
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BU of 7whz by Molmil
SARS-CoV-2 spike protein in complex with three human neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
著者Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
登録日2022-01-01
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
4FZ3
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BU of 4fz3 by Molmil
Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin
分子名称: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ...
著者Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H.
登録日2012-07-06
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
7DCN
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BU of 7dcn by Molmil
Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
分子名称: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION
著者Xu, H, Wang, B, Su, X.D.
登録日2020-10-26
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
7DCM
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BU of 7dcm by Molmil
Crystal structure of CITX
分子名称: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION
著者Xu, H, Wang, B, Su, X.D.
登録日2020-10-26
公開日2021-11-03
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
3HTX
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BU of 3htx by Molmil
Crystal structure of small RNA methyltransferase HEN1
分子名称: 5'-R(*GP*AP*UP*UP*UP*CP*UP*CP*UP*CP*UP*GP*CP*AP*AP*GP*CP*GP*AP*AP*AP*G)-3', 5'-R(P*UP*UP*CP*GP*CP*UP*UP*GP*CP*AP*GP*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*C)-3', HEN1, ...
著者Huang, Y, Ji, L.-J, Huang, Q.-C, Vassylyev, D.G, Chen, X.-M, Ma, J.-B.
登録日2009-06-12
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural insights into mechanisms of the small RNA methyltransferase HEN1.
Nature, 461, 2009
7WQ4
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BU of 7wq4 by Molmil
Galanin-bound galanin receptor 2 in complex with Gq
分子名称: CHOLESTEROL, Engineered Guanine nucleotide-binding protein G(q) subunit alpha, Galanin, ...
著者Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y.
登録日2022-01-24
公開日2022-04-20
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors
Nat Commun, 13, 2022
7WQ3
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BU of 7wq3 by Molmil
Galanin-bound galanin receptor 1 in complex with Gi
分子名称: CHOLESTEROL, Galanin, Galanin receptor type 1, ...
著者Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y.
登録日2022-01-24
公開日2022-04-20
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors
Nat Commun, 13, 2022
7KXI
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BU of 7kxi by Molmil
Structure of XL5-ligated hRpn13 Pru domain
分子名称: 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid, Proteasomal ubiquitin receptor ADRM1
著者Lu, X, Walters, K.J.
登録日2020-12-03
公開日2021-12-15
最終更新日2021-12-29
実験手法SOLUTION NMR
主引用文献Structure-guided bifunctional molecules hit a DEUBAD-lacking hRpn13 species upregulated in multiple myeloma.
Nat Commun, 12, 2021
1HFD
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BU of 1hfd by Molmil
HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM
分子名称: COMPLEMENT FACTOR D
著者Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L.
登録日1998-06-18
公開日1999-06-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity.
J.Mol.Biol., 282, 1998
1WM8
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BU of 1wm8 by Molmil
Solution Structure of BmP03 from the Venom of Scorpion Buthus martensii Karsch, 10 structures
分子名称: Neurotoxin BmP03
著者Wu, H, He, F, Li, Y, Wu, G, Cao, C, Chen, X.
登録日2004-07-05
公開日2004-07-27
最終更新日2018-04-18
実験手法SOLUTION NMR
主引用文献Three-Dimensional Structure of BmP03 from Venom of Scorpion Buthus martensii Karsch
Acta Chim.Sinica, 58, 2000
1GTN
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BU of 1gtn by Molmil
Structure of the trp RNA-binding attenuation protein (TRAP) bound to an RNA molecule containing 11 GAGCC repeats
分子名称: (GAGCC)11G 56-NUCLEOTIDE RNA, TRP RNA-BINDING ATTENUATION PROTEIN, TRYPTOPHAN
著者Hopcroft, N.H, Wendt, A.L, Gollnick, P, Antson, A.A.
登録日2002-01-16
公開日2002-04-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Specificity of Trap-RNA Interactions: Crystal Structures of Two Complexes with Different RNA Sequences
Acta Crystallogr.,Sect.D, 58, 2002
1WM7
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Solution Structure of BmP01 from the Venom of Scorpion Buthus martensii Karsch, 9 structures
分子名称: Neurotoxin BmP01
著者Wu, G, Li, Y, Wei, D, He, F, Jiang, S, Hu, G, Wu, H, Chen, X.
登録日2004-07-05
公開日2004-07-27
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution Structure of BmP01 from the Venom of Scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 276, 2000
7VJL
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BU of 7vjl by Molmil
The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
分子名称: Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2021-09-28
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.900173 Å)
主引用文献Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design.
Bioorg.Med.Chem., 50, 2021
6LRD
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BU of 6lrd by Molmil
Structure of RecJ complexed with a 5'-P-dSpacer-modified ssDNA
分子名称: ASP-LEU-PRO-PHE, DNA (5'-D(P*(3DR)P*TP*TP*TP*TP*T)-3'), MANGANESE (II) ION, ...
著者Cheng, K, Hua, Y.
登録日2020-01-16
公開日2020-08-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.901335 Å)
主引用文献Participation of RecJ in the base excision repair pathway of Deinococcus radiodurans.
Nucleic Acids Res., 48, 2020
1FDP
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BU of 1fdp by Molmil
PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D
分子名称: PROENZYME OF COMPLEMENT FACTOR D
著者Jing, H, Macon, K.J, Moore, D, Delucas, L.J, Volanakis, J.E, Narayana, S.V.L.
登録日1998-12-03
公開日1999-12-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of profactor D activation: from a highly flexible zymogen to a novel self-inhibited serine protease, complement factor D.
Embo J., 18, 1999
7JM5
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Crystal structure of KDM4B in complex with QC6352
分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
著者White, S.W, Yun, M.
登録日2020-07-31
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022

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