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4GK5
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BU of 4gk5 by Molmil
Crystal structure of human Rev3-Rev7-Rev1-Polkappa complex
Descriptor: DNA polymerase kappa, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ...
Authors:Tao, J, Min, X, Wei, X.
Deposit date:2012-08-10
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural insights into the assembly of human translesion polymerase complexes
Protein Cell, 3, 2012
4WVD
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BU of 4wvd by Molmil
Identification of a novel FXR ligand that regulates metabolism
Descriptor: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ...
Authors:Wang, R, Li, Y.
Deposit date:2014-11-05
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
2D2D
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BU of 2d2d by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2
Descriptor: 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
Authors:Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z.
Deposit date:2005-09-08
Release date:2005-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
1WOF
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BU of 1wof by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
Deposit date:2004-08-18
Release date:2005-08-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
3V36
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BU of 3v36 by Molmil
Aldose reductase complexed with glceraldehyde
Descriptor: Aldose reductase, D-Glyceraldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X.
Deposit date:2011-12-13
Release date:2012-08-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
3V35
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BU of 3v35 by Molmil
Aldose reductase complexed with a nitro compound
Descriptor: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ...
Authors:Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X.
Deposit date:2011-12-13
Release date:2012-08-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
4WNM
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BU of 4wnm by Molmil
SYK catalytic domain in complex with a potent triazolopyridine inhibitor
Descriptor: N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine, SULFATE ION, Tyrosine-protein kinase SYK
Authors:Jackson, P.J.
Deposit date:2014-10-13
Release date:2016-01-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Novel Triazolopyridine-Based Spleen Tyrosine Kinase Inhibitor That Arrests Joint Inflammation.
Plos One, 11, 2016
2AMD
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BU of 2amd by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9
Descriptor: 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-09
Release date:2005-09-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMQ
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BU of 2amq by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-10
Release date:2005-09-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMP
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BU of 2amp by Molmil
Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-10
Release date:2005-09-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
5B76
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BU of 5b76 by Molmil
Crystal structure of MOZ double PHD finger domain in complex with histone H3 crotonylation at K14
Descriptor: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B77
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BU of 5b77 by Molmil
Crystal structrue of MOZ double PHD finger in complex with histone H3 propionylation at K14
Descriptor: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B78
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BU of 5b78 by Molmil
Crystal structure of MOZ double PHD finger mutant-S210D/N235R in complex with histone H3 crotonylation at K14
Descriptor: Histone H3, Histone acetyltransferase KAT6A, ZINC ION
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B75
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BU of 5b75 by Molmil
Crystal structure of MOZ double PHD finger in complex with histone H3 butyrylation at K14
Descriptor: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B79
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BU of 5b79 by Molmil
Crystal structure of DPF2 double PHD finger
Descriptor: ZINC ION, Zinc finger protein ubi-d4
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
8D2J
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BU of 8d2j by Molmil
A novel insecticidal protein from ferns IPD113_Cow.
Descriptor: GLYCEROL, IPD113_Cow
Authors:Maher, M.J.
Deposit date:2022-05-30
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel insecticidal proteins from ferns resemble insecticidal proteins from Bacillus thuringiensis.
Proc.Natl.Acad.Sci.USA, 120, 2023
6V9Q
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BU of 6v9q by Molmil
Cryo-EM structure of Cascade-TniQ binary complex
Descriptor: Cas8, RNA (61-MER), TniQ family protein, ...
Authors:Jia, N, Patel, D.J.
Deposit date:2019-12-15
Release date:2020-01-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure-function insights into the initial step of DNA integration by a CRISPR-Cas-Transposon complex.
Cell Res., 30, 2020
6VBW
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BU of 6vbw by Molmil
Cryo-EM structure of Cascade-TniQ-dsDNA ternary complex
Descriptor: Cas6, Cas7, Cas8, ...
Authors:Jia, N, Patel, D.J.
Deposit date:2019-12-19
Release date:2020-01-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-function insights into the initial step of DNA integration by a CRISPR-Cas-Transposon complex.
Cell Res., 30, 2020
6V9P
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BU of 6v9p by Molmil
Crystal structure of the transposition protein TniQ
Descriptor: GLYCEROL, TniQ family protein, ZINC ION
Authors:Jia, N, Patel, D.J.
Deposit date:2019-12-14
Release date:2020-01-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-function insights into the initial step of DNA integration by a CRISPR-Cas-Transposon complex.
Cell Res., 30, 2020
4FYO
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BU of 4fyo by Molmil
Crystal structure of spleen tyrosine kinase complexed with N-{(S)-1-[7-(3,4-Dimethoxy-phenylamino)-thiazolo[5,4-d]pyrimidin-5-yl]-pyrrolidin-3-yl}-terephthalamic acid
Descriptor: 4-{[(3S)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Slade, M.
Deposit date:2012-07-05
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
4FZ6
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BU of 4fz6 by Molmil
Crystal structure of spleen tyrosine kinase complexed with [6-((S)-2-Methyl-pyrrolidin-1-yl)-pyridin-2-yl]-(6-phenyl-imidazo[1,2-b]pyridazin-8-yl)-amine
Descriptor: N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Slade, M.
Deposit date:2012-07-06
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
4FYN
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BU of 4fyn by Molmil
Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol
Descriptor: 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Villasenor, A.G.
Deposit date:2012-07-05
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.318 Å)
Cite:Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
3GGR
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BU of 3ggr by Molmil
Crystal Structure of the Human Rad9-Hus1-Rad1 complex
Descriptor: Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1
Authors:Xu, M, Bai, L, Hang, H.Y, Jiang, T.
Deposit date:2009-03-02
Release date:2009-06-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and functional implications of the human rad9-hus1-rad1 cell cycle checkpoint complex
J.Biol.Chem., 284, 2009
3RZ3
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BU of 3rz3 by Molmil
Human Cdc34 E2 in complex with CC0651 inhibitor
Descriptor: 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid, Ubiquitin-conjugating enzyme E2 R1
Authors:Ceccarelli, D.F, Webb, D.R, Sicheri, F.
Deposit date:2011-05-11
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An allosteric inhibitor of the human cdc34 ubiquitin conjugating enzyme
Cell(Cambridge,Mass.), 145, 2011
4I0S
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BU of 4i0s by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
Descriptor: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Slade, M.
Deposit date:2012-11-19
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013

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