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7C3C
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BU of 7c3c by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose
Descriptor: AofleA, GLYCEROL, alpha-D-mannopyranose, ...
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-12
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
7WKD
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BU of 7wkd by Molmil
TRH-TRHR G protein complex
Descriptor: Gq, 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:Xu, Y, Cai, H, You, C, He, X, Yuan, Q, Jiang, H, Cheng, X, Jiang, Y, Xu, H.E.
Deposit date:2022-01-09
Release date:2022-06-15
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural insights into ligand binding and activation of the human thyrotropin-releasing hormone receptor.
Cell Res., 32, 2022
1MVX
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BU of 1mvx by Molmil
structure of the SET domain histone lysine methyltransferase Clr4
Descriptor: CRYPTIC LOCI REGULATOR 4, NICKEL (II) ION, SULFATE ION, ...
Authors:Min, J.R, Zhang, X, Cheng, X.D, Grewal, S.I.S, Xu, R.-M.
Deposit date:2002-09-26
Release date:2002-10-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the SET domain histone lysine methyltransferase Clr4.
Nat.Struct.Biol., 9, 2002
1MVH
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BU of 1mvh by Molmil
structure of the SET domain histone lysine methyltransferase Clr4
Descriptor: Cryptic loci regulator 4, NICKEL (II) ION, SULFATE ION, ...
Authors:Min, J.R, Zhang, X, Cheng, X.D, Grewal, S.I.S, Xu, R.-M.
Deposit date:2002-09-25
Release date:2002-10-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the SET domain histone lysine methyltransferase Clr4.
Nat.Struct.Biol., 9, 2002
4XKL
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BU of 4xkl by Molmil
Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin
Descriptor: ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ...
Authors:Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L.
Deposit date:2015-01-12
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
2FKC
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BU of 2fkc by Molmil
Crystal Form I of Pre-Reactive Complex of Restriction Endonuclease HinP1I with Cognate DNA and Calcium Ion
Descriptor: 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', CALCIUM ION, R.HinP1I restriction endonuclease
Authors:Horton, J.R.
Deposit date:2006-01-04
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion.
Nucleic Acids Res., 34, 2006
2FL3
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BU of 2fl3 by Molmil
Binary Complex of Restriction Endonuclease HinP1I with Cognate DNA
Descriptor: 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', R.HinP1I Restriction Endonuclease
Authors:Horton, J.R.
Deposit date:2006-01-05
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion.
Nucleic Acids Res., 34, 2006
2FKH
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BU of 2fkh by Molmil
Crystal Form II of Pre-Reactive Complex of Restriction Endonuclease HinP1I with Cognate DNA and Calcium Ions
Descriptor: 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', CALCIUM ION, R.HinP1I Restriction Endonuclease
Authors:Horton, J.R.
Deposit date:2006-01-04
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion.
Nucleic Acids Res., 34, 2006
2FLC
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BU of 2flc by Molmil
Post-Reactive Complex of Restriction Endonuclease HinP1I with Nicked Cognate DNA and Magnesium Ions
Descriptor: 5'-D(*CP*CP*AP*G)-3', 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', 5'-D(P*CP*GP*CP*TP*GP*G)-3', ...
Authors:Horton, J.R.
Deposit date:2006-01-05
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion.
Nucleic Acids Res., 34, 2006
8I2H
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BU of 8i2h by Molmil
Follicle stimulating hormone receptor
Descriptor: Follicle-stimulating hormone receptor
Authors:Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E.
Deposit date:2023-01-14
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
8I2G
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BU of 8i2g by Molmil
FSHR-Follicle stimulating hormone-compound 716340-Gs complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E.
Deposit date:2023-01-14
Release date:2023-03-29
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
8AHH
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BU of 8ahh by Molmil
PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHE
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BU of 8ahe by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHF
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BU of 8ahf by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.271 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHI
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BU of 8ahi by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-1,3-benzothiazole-6-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
6WF3
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BU of 6wf3 by Molmil
Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1)
Descriptor: ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WFK
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BU of 6wfk by Molmil
Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology
Descriptor: (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WFN
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BU of 6wfn by Molmil
Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology
Descriptor: (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WF5
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BU of 6wf5 by Molmil
Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2)
Descriptor: (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WFG
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BU of 6wfg by Molmil
Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology
Descriptor: (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WFO
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BU of 6wfo by Molmil
Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology
Descriptor: (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
1EH4
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BU of 1eh4 by Molmil
BINARY COMPLEX OF CASEIN KINASE-1 FROM S. POMBE WITH AN ATP COMPETITIVE INHIBITOR, IC261
Descriptor: 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE, CASEIN KINASE-1, SULFATE ION
Authors:Mashhoon, N, Demaggio, A.J, Tereshko, V, Bergmeier, S.C, Egli, M, Hoekstra, M.F, Kuret, J.
Deposit date:2000-02-18
Release date:2001-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of a Conformation-Selective Casein Kinase-1 Inhibitor
J.Biol.Chem., 275, 2000
4BHM
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BU of 4bhm by Molmil
The crystal structure of MoSub1-DNA complex reveals a novel DNA binding mode
Descriptor: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP)-3', MOSUB1 TRANSCRIPTION COFACTOR, SULFATE ION
Authors:Huang, J, Liu, H, Zhao, Y, Huang, D, liu, J, Peng, Y.
Deposit date:2013-04-04
Release date:2014-04-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4.
Sci.Rep., 5, 2015
2MXP
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BU of 2mxp by Molmil
Solution structure of NDP52 ubiquitin-binding zinc finger
Descriptor: Calcium-binding and coiled-coil domain-containing protein 2, ZINC ION
Authors:Pan, L, Xie, X.
Deposit date:2015-01-12
Release date:2015-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015

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