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8G20
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BU of 8g20 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
Descriptor: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2023-02-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
8PD0
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BU of 8pd0 by Molmil
cryo-EM structure of Doa10 in MSP1E3D1
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10
Authors:Botsch, J.J, Braeuning, B, Schulman, B.A.
Deposit date:2023-06-11
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
8PDA
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BU of 8pda by Molmil
cryo-EM structure of Doa10 with RING domain in MSP1E3D1
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10
Authors:Botsch, J.J, Braeuning, B, Schulman, B.A.
Deposit date:2023-06-12
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
2ZIW
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BU of 2ziw by Molmil
Crystal structure of the Mus81-Eme1 complex
Descriptor: Crossover junction endonuclease EME1, Mus81 protein
Authors:Chang, J.H, Kim, J.J, Choi, J.M, Lee, J.H, Cho, Y.
Deposit date:2008-02-25
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the Mus81-Eme1 complex
Genes Dev., 22, 2008
8YRG
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BU of 8yrg by Molmil
CryoEM structure of fospropofol-bound MRGPRX4-Gq complex
Descriptor: Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cao, C, Fay, J.F, Roth, B.L.
Deposit date:2024-03-21
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:MRGPRX4 mediates phospho-drug-associated pruritus in a humanized mouse model.
Sci Transl Med, 16, 2024
8TS0
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BU of 8ts0 by Molmil
Crystal Structure of human ASGR1 CRD (Carbohydrate Recognition Domain) bound to 8M24 Fab
Descriptor: 8M24 Fab Heavy chain, 8M24 Fab Light chain, Asialoglycoprotein receptor 1, ...
Authors:Sampathkumar, P, Li, Y.
Deposit date:2023-08-10
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeted protein degradation systems to enhance Wnt signaling.
Elife, 13, 2024
8V4X
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BU of 8v4x by Molmil
Structure of MALT1 in complex with an allosteric inhibitor
Descriptor: Inhibitor peptide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
Authors:Judge, R.A, Pappano, W.N.
Deposit date:2023-11-29
Release date:2024-05-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Inhibition of MALT1 and BCL2 Induces Synergistic Antitumor Activity in Models of B-Cell Lymphoma.
Mol.Cancer Ther., 23, 2024
8URF
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BU of 8urf by Molmil
Crystal Structure of human ASGR2 CRD (Carbohydrate Recognition Domain) bound to 8G8 Fab
Descriptor: 8G8 Fab Heavy Chain, 8G8 Fab Light Chain, Asialoglycoprotein receptor 2, ...
Authors:Sampathumar, P, Li, Y.
Deposit date:2023-10-25
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeted protein degradation systems to enhance Wnt signaling.
Elife, 13, 2024
8X6M
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BU of 8x6m by Molmil
Crystal Structure of Glycerol Dehydrogenase in the Presence of NAD+ and Glycerol
Descriptor: GLYCEROL, Glycerol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Park, T, Kang, J.Y, Jin, M, Yang, J, Kim, H, Noh, C, Eom, S.H.
Deposit date:2023-11-21
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the octamerization of glycerol dehydrogenase.
Plos One, 19, 2024
2ZIU
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BU of 2ziu by Molmil
Crystal structure of the Mus81-Eme1 complex
Descriptor: Crossover junction endonuclease EME1, Mus81 protein
Authors:Chang, J.H, Kim, J.J, Choi, J.M, Lee, J.H, Cho, Y.
Deposit date:2008-02-25
Release date:2008-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the Mus81-Eme1 complex
Genes Dev., 22, 2008
2ZIV
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BU of 2ziv by Molmil
Crystal structure of the Mus81-Eme1 complex
Descriptor: Crossover junction endonuclease EME1, Mus81 protein
Authors:Chang, J.H, Kim, J.J, Choi, J.M, Lee, J.H, Cho, Y.
Deposit date:2008-02-25
Release date:2008-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the Mus81-Eme1 complex
Genes Dev., 22, 2008
1IDE
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BU of 1ide by Molmil
ISOCITRATE DEHYDROGENASE Y160F MUTANT STEADY-STATE INTERMEDIATE COMPLEX (LAUE DETERMINATION)
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ...
Authors:Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
1IDD
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BU of 1idd by Molmil
ISOCITRATE DEHYDROGENASE Y160F MUTANT APO ENZYME
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Lee, M.E, Dyer, D.H, Klein, O.D, Bolduc, J.M, Stoddard, B.L, Koshland Junior, D.E.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
2GWD
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BU of 2gwd by Molmil
Crystal structure of plant glutamate cysteine ligase in complex with Mg2+ and L-glutamate
Descriptor: ACETATE ION, GLUTAMIC ACID, Glutamate cysteine ligase, ...
Authors:Hothorn, M, Wachter, A, Gromes, R, Stuwe, T, Rausch, T, Scheffzek, K.
Deposit date:2006-05-04
Release date:2006-06-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural basis for the redox control of plant glutamate cysteine ligase.
J.Biol.Chem., 281, 2006
3LDH
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BU of 3ldh by Molmil
A comparison of the structures of apo dogfish m4 lactate dehydrogenase and its ternary complexes
Descriptor: LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID
Authors:White, J.L, Hackert, M.L, Buehner, M, Adams, M.J, Ford, G.C, Lentzjunior, P.J, Smiley, I.E, Steindel, S.J, Rossmann, M.G.
Deposit date:1974-06-06
Release date:1977-04-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:A comparison of the structures of apo dogfish M4 lactate dehydrogenase and its ternary complexes.
J.Mol.Biol., 102, 1976
1IDC
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BU of 1idc by Molmil
ISOCITRATE DEHYDROGENASE FROM E.COLI (MUTANT K230M), STEADY-STATE INTERMEDIATE COMPLEX DETERMINED BY LAUE CRYSTALLOGRAPHY
Descriptor: 2-OXALOSUCCINIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION
Authors:Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
1IDF
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BU of 1idf by Molmil
ISOCITRATE DEHYDROGENASE K230M MUTANT APO ENZYME
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
4HNK
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BU of 4hnk by Molmil
Crystal structure of an Enzyme
Descriptor: ATP-dependent Clp protease proteolytic subunit, GLYCEROL
Authors:El Bakkouri, M, Calmettes, C, Wernimont, A.K, Houry, W.A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2012-10-19
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insights into the Inactive Subunit of the Apicoplast-localized Caseinolytic Protease Complex of Plasmodium falciparum.
J.Biol.Chem., 288, 2013
4IR4
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BU of 4ir4 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone (GSK2834113A)
Descriptor: 1,2-ETHANEDIOL, 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR5
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BU of 4ir5 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone (GSK2847449A)
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR3
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BU of 4ir3 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone (GSK2833282A)
Descriptor: 1,2-ETHANEDIOL, 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B, ...
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR6
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BU of 4ir6 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(METHYLSULFONYL)PHENYL]-7-PHENOXYINDOLIZIN-3-YL}ETHANONE (GSK2838097A)
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
1BL5
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BU of 1bl5 by Molmil
ISOCITRATE DEHYDROGENASE FROM E. COLI SINGLE TURNOVER LAUE STRUCTURE OF RATE-LIMITED PRODUCT COMPLEX, 10 MSEC TIME RESOLUTION
Descriptor: 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION, ...
Authors:Stoddard, B.L, Cohen, B, Brubaker, M, Mesecar, A, Koshland Junior, D.E.
Deposit date:1998-07-23
Release date:1999-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Millisecond Laue structures of an enzyme-product complex using photocaged substrate analogs.
Nat.Struct.Biol., 5, 1998
4JLK
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BU of 4jlk by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the F2.2.1 inhibitoR (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE)
Descriptor: 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2013-03-12
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
6VL2
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BU of 6vl2 by Molmil
Stigmurin
Descriptor: Stigmurin
Authors:Rodrigues, S.C.S, Resende, J.M, Araujo, R.M, Pedrosa, M.F.F.
Deposit date:2020-01-22
Release date:2021-01-13
Last modified:2021-01-20
Method:SOLUTION NMR
Cite:NMR three-dimensional structure of the cationic peptide Stigmurin from Tityus stigmurus scorpion venom: In vitro antioxidant and in vivo antibacterial and healing activity.
Peptides, 137, 2021

222624

数据于2024-07-17公开中

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