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5WCJ
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BU of 5wcj by Molmil
Crystal Structure of Human Methyltransferase-like protein 13 in complex with SAH
Descriptor: Methyltransferase-like protein 13, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Loppnau, P, Seitova, A, Hutchinson, A, Hunt, B, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The dual methyltransferase METTL13 targets N terminus and Lys55 of eEF1A and modulates codon-specific translation rates.
Nat Commun, 9, 2018
4F0Y
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BU of 4f0y by Molmil
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-IG from Acinetobacter haemolyticus, apo
Descriptor: Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, GLYCEROL, ...
Authors:Stogios, P.J, Evdokimova, E, Dong, A, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-05
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
4MYO
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BU of 4myo by Molmil
Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus
Descriptor: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-27
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.696 Å)
Cite:Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA.
Antimicrob.Agents Chemother., 58, 2014
4E8O
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BU of 4e8o by Molmil
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ih from Acinetobacter baumannii
Descriptor: Aac(6')-Ih protein, CHLORIDE ION
Authors:Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-03-20
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.138 Å)
Cite:Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
4FL6
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BU of 4fl6 by Molmil
Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215
Descriptor: Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}
Authors:Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-06-14
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.
Nat. Chem. Biol., 9, 2013
4PZI
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BU of 4pzi by Molmil
Zinc finger region of MLL2 in complex with CpG DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Histone-lysine N-methyltransferase 2B, UNKNOWN ATOM OR ION, ...
Authors:Chao, X, Tempel, W, Liu, K, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-03-31
Release date:2014-06-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
4OCT
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BU of 4oct by Molmil
Crystal structure of human ALKBH5 crystallized in the presence of Mn^{2+} and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5, ...
Authors:Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-01-09
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
J.Biol.Chem., 289, 2014
4FU6
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BU of 4fu6 by Molmil
Crystal structure of the PSIP1 PWWP domain
Descriptor: GLYCEROL, PC4 and SFRS1-interacting protein, SULFATE ION, ...
Authors:Qin, S, Tempel, W, Xu, C, Wu, H, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-06-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of the nucleosome-binding PWWP domain.
Trends Biochem.Sci., 39, 2014
4O62
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BU of 4o62 by Molmil
CW-type zinc finger of ZCWPW2 in complex with the amino terminus of histone H3
Descriptor: Histone H3.3, UNKNOWN ATOM OR ION, ZINC ION, ...
Authors:Liu, Y, Tempel, W, Dong, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-20
Release date:2014-03-26
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
4O61
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BU of 4o61 by Molmil
Structure of human ALKBH5 crystallized in the presence of citrate
Descriptor: CITRIC ACID, GLYCEROL, RNA demethylase ALKBH5, ...
Authors:Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-20
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
J.Biol.Chem., 289, 2014
4QQI
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BU of 4qqi by Molmil
Crystal structure of ANKRA2-RFX7 complex
Descriptor: Ankyrin repeat family A protein 2, DNA-binding protein RFX7, SULFATE ION, ...
Authors:Xu, C, Tempel, W, Dong, A, Mackenzie, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of ANKRA2-RFX7 complex
To Be Published
7D40
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BU of 7d40 by Molmil
Crystal structure of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Kumar, S, Balaram, H.
Deposit date:2020-09-21
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
7D96
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Crystal structure of D110G mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Aggarwal, R, Balaram, H.
Deposit date:2020-10-12
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
7D97
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BU of 7d97 by Molmil
Crystal structure of N109P mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Kavya, J, Balaram, H.
Deposit date:2020-10-12
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
7D95
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BU of 7d95 by Molmil
Crystal structure of acivicin-bound GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Descriptor: GMP synthase [glutamine-hydrolyzing] subunit A
Authors:Bellur, A, Dongre, A, Kumar, S, Balaram, H.
Deposit date:2020-10-12
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation.
Biophys.J., 120, 2021
6WY5
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BU of 6wy5 by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.898 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
6WY0
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BU of 6wy0 by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
6WXZ
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BU of 6wxz by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
6WYD
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BU of 6wyd by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
6WY7
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CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020

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