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PDB: 42289 件

5WBQ
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Structure of human Ketohexokinase complexed with hits from fragment screening
分子名称: 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile, CHLORIDE ION, Ketohexokinase, ...
著者Pandit, J.
登録日2017-06-29
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
2O9Q
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The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K
分子名称: CALCIUM ION, Cationic trypsin, ORB2K, ...
著者Li, J, Zhang, C, Xu, X, Wang, J, Gong, W, Lai, R.
登録日2006-12-14
公開日2007-12-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From protease inhibitor to antibiotics: single point mutation makes tremendous functional shift
To be Published
8TUP
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BU of 8tup by Molmil
Cryo-EM structure of the human MRS2 magnesium channel under Mg2+-free condition
分子名称: MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial
著者Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D.
登録日2023-08-16
公開日2023-09-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
4OEX
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BU of 4oex by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
著者Chen, T.T, Ren, J, Xu, Y.C.
登録日2014-01-14
公開日2015-04-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
6W8R
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BU of 6w8r by Molmil
Crystal structure of metacaspase 4 C139A from Arabidopsis
分子名称: Metacaspase-4, SULFATE ION
著者Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
登録日2020-03-21
公開日2020-05-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
6WBM
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Cryo-EM structure of human Pannexin 1 channel N255A mutant
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, DIACYL GLYCEROL, ...
著者Lu, W, Du, J, Ruan, Z.
登録日2020-03-26
公開日2020-06-03
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
8TUL
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BU of 8tul by Molmil
Cryo-EM structure of the human MRS2 magnesium channel under Mg2+ condition
分子名称: MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial
著者Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D.
登録日2023-08-16
公開日2023-09-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
7R0X
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BU of 7r0x by Molmil
Structure of the branching thioesterase from oocydin biosynthesis
分子名称: Polyketide synthase
著者Fraley, A.E, Piel, J.
登録日2022-02-02
公開日2022-08-10
最終更新日2022-09-28
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure of a Promiscuous Thioesterase Domain Responsible for Branching Acylation in Polyketide Biosynthesis.
Angew.Chem.Int.Ed.Engl., 61, 2022
8BSA
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BU of 8bsa by Molmil
Vc1313-LBD bound to D-arginine
分子名称: D-ARGININE, Methyl-accepting chemotaxis protein
著者ter Beek, J, Berntsson, R.P.-A.
登録日2022-11-24
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献D-amino acids signal a stress-dependent run-away response in Vibrio cholerae.
Nat Microbiol, 8, 2023
1CQH
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BU of 1cqh by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN REF-1 (RESIDUES 59-71 OF THE P50 SUBUNIT OF NFKB), NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: REF-1 PEPTIDE, THIOREDOXIN
著者Clore, G.M, Qin, J, Gronenborn, A.M.
登録日1996-04-02
公開日1996-08-01
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献The solution structure of human thioredoxin complexed with its target from Ref-1 reveals peptide chain reversal.
Structure, 4, 1996
6WA3
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BU of 6wa3 by Molmil
Solution NMR structure of the myristoylated feline immunodeficiency virus matrix protein
分子名称: MYRISTIC ACID, Matrix protein
著者Brown, J.B, Summers, H.R, Brown, L.A, Marchant, J, Canova, P.N, O'Hern, C.T, Abbott, S, Nyaunu, C, Maxwell, S, Johnson, T, Moser, M, Ablan, S.D, Carter, H, Freed, E.O, Summers, M.F.
登録日2020-03-24
公開日2020-07-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and Mechanistic Studies of the Rare Myristoylation Signal of the Feline Immunodeficiency Virus.
J.Mol.Biol., 432, 2020
8BSB
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BU of 8bsb by Molmil
Vc1313-LBD bound to D-lysine
分子名称: D-LYSINE, Methyl-accepting chemotaxis protein
著者ter Beek, J, Berntsson, R.P.-A.
登録日2022-11-24
公開日2023-06-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献D-amino acids signal a stress-dependent run-away response in Vibrio cholerae.
Nat Microbiol, 8, 2023
8U27
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BU of 8u27 by Molmil
Bcl-2-xL complexed with compound 35
分子名称: Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
著者Rizo, J, Pan, Y.-Z.
登録日2023-09-05
公開日2023-09-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights for selective disruption of Beclin 1 binding to Bcl-2.
Commun Biol, 6, 2023
6VRY
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BU of 6vry by Molmil
Structure of NCI09 fab in complex with SIV V2 peptide
分子名称: NCI09 heavy chain, NCI09 light chain, SIV V2 peptide, ...
著者Gorman, J, Ahmadi, M, Kwong, P.D.
登録日2020-02-10
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献HIV vaccine candidate with V1 deletion reveals virus vulnerability to V2 antibodies
Iscience, 2020
6VW9
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BU of 6vw9 by Molmil
C-terminal regulatory domain of the chloride transporter KCC-1 from C. elegans, proteolyzed during crystallization
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GLYCEROL, K+/Cl-Cotransporter
著者Zimanyi, C.M, Cheung, J.
登録日2020-02-19
公開日2020-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Regulatory Cytosolic Domain of a Eukaryotic Potassium-Chloride Cotransporter.
Structure, 28, 2020
2H3I
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BU of 2h3i by Molmil
Solution structure of the HIV-1 myristoylated Matrix protein
分子名称: Gag polyprotein, MYRISTIC ACID
著者Saad, J.S, Miller, J, Tai, J, Kim, A, Ghanam, R.H, Summers, M.F.
登録日2006-05-22
公開日2006-07-25
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Structural basis for targeting HIV-1 Gag proteins to the plasma membrane for virus assembly.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3PKN
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BU of 3pkn by Molmil
Crystal structure of MLLE domain of poly(A) binding protein in complex with PAM2 motif of La-related protein 4 (LARP4)
分子名称: IODIDE ION, La-related protein 4, Polyadenylate-binding protein 1, ...
著者Xie, J, Kozlov, G, Gehring, K.
登録日2010-11-11
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献La-Related Protein 4 Binds Poly(A), Interacts with the Poly(A)-Binding Protein MLLE Domain via a Variant PAM2w Motif, and Can Promote mRNA Stability.
Mol.Cell.Biol., 31, 2011
6QXP
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BU of 6qxp by Molmil
Protein peptide complex
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, Leucine-rich repeat extensin-like protein 2, ...
著者Moussu, S, Caroline, C, Santos-Fernandez, G, Wehrle, S, Grossniklaus, U, Santiago, J.
登録日2019-03-07
公開日2020-03-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth.
Proc.Natl.Acad.Sci.USA, 117, 2020
8TP6
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BU of 8tp6 by Molmil
H2 hemagglutinin (A/Singapore/1/1957) in complex with RBS-targeting Fab 4-1-1E02
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, Heavy chain of 4-1-1E02 Fab, ...
著者Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B.
登録日2023-08-04
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Biorxiv, 2023
5WMN
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BU of 5wmn by Molmil
Crystal Structure of HLA-B7 in complex with SPI, an influenza peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-30
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
2GIV
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BU of 2giv by Molmil
Human MYST histone acetyltransferase 1
分子名称: ACETYL COENZYME *A, CHLORIDE ION, Probable histone acetyltransferase MYST1, ...
著者Min, J, Wu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-03-29
公開日2006-04-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The Crystal Structure of Human MYST histone acetyltransferase 1 in complex with acetylcoenzyme A
To be Published
7Y8F
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Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide
分子名称: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
著者Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
登録日2022-06-23
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
7Y8G
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Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide
分子名称: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
著者Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
登録日2022-06-23
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
6VYG
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Cryo-EM structure of Plasmodium vivax hexokinase (Closed state)
分子名称: Phosphotransferase
著者Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S.
登録日2020-02-26
公開日2020-05-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
8BOX
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BU of 8box by Molmil
LSD1-CoREST in complex with AW4 and SNAG peptide
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ...
著者Caroli, J, Mattevi, A.
登録日2022-11-15
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published

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件を2024-07-17に公開中

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