4WNP
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![BU of 4wnp by Molmil](/molmil-images/mine/4wnp) | Structure of ULK1 bound to a potent inhibitor | Descriptor: | GLYCEROL, N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine, Serine/threonine-protein kinase ULK1 | Authors: | Lazarus, M.B, Novotny, C.J, Shokat, K.M. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure of the Human Autophagy Initiating Kinase ULK1 in Complex with Potent Inhibitors. Acs Chem.Biol., 10, 2015
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4WNO
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![BU of 4wno by Molmil](/molmil-images/mine/4wno) | Structure of ULK1 bound to an inhibitor | Descriptor: | N~2~-(4-aminophenyl)-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine, Serine/threonine-protein kinase ULK1 | Authors: | Lazarus, M.B, Novotny, C.J, Shokat, K.M. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure of the Human Autophagy Initiating Kinase ULK1 in Complex with Potent Inhibitors. Acs Chem.Biol., 10, 2015
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5CI7
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![BU of 5ci7 by Molmil](/molmil-images/mine/5ci7) | Structure of ULK1 bound to a selective inhibitor | Descriptor: | GLYCEROL, N-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide, Serine/threonine-protein kinase ULK1 | Authors: | Lazarus, M.B, Shokat, K.M. | Deposit date: | 2015-07-11 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery and structure of a new inhibitor scaffold of the autophagy initiating kinase ULK1. Bioorg.Med.Chem., 23, 2015
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3PE4
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![BU of 3pe4 by Molmil](/molmil-images/mine/3pe4) | Structure of human O-GlcNAc transferase and its complex with a peptide substrate | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ... | Authors: | Lazarus, M.B, Nam, Y, Jiang, J, Sliz, P, Walker, S. | Deposit date: | 2010-10-25 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of human O-GlcNAc transferase and its complex with a peptide substrate. Nature, 469, 2011
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3PE3
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![BU of 3pe3 by Molmil](/molmil-images/mine/3pe3) | Structure of human O-GlcNAc transferase and its complex with a peptide substrate | Descriptor: | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE | Authors: | Lazarus, M.B, Nam, Y, Jiang, J, Sliz, P, Walker, S. | Deposit date: | 2010-10-25 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structure of human O-GlcNAc transferase and its complex with a peptide substrate. Nature, 469, 2011
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4GZ5
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![BU of 4gz5 by Molmil](/molmil-images/mine/4gz5) | Crystal structure of human O-GlcNAc Transferase with UDP-GlcNAc | Descriptor: | SULFATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S. | Deposit date: | 2012-09-06 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.075 Å) | Cite: | Structural snapshots of the reaction coordinate for O-GlcNAc transferase. Nat.Chem.Biol., 8, 2012
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4GYW
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![BU of 4gyw by Molmil](/molmil-images/mine/4gyw) | Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S. | Deposit date: | 2012-09-05 | Release date: | 2012-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural snapshots of the reaction coordinate for O-GlcNAc transferase. Nat.Chem.Biol., 8, 2012
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4GZ3
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![BU of 4gz3 by Molmil](/molmil-images/mine/4gz3) | Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide | Descriptor: | 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S. | Deposit date: | 2012-09-05 | Release date: | 2012-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural snapshots of the reaction coordinate for O-GlcNAc transferase. Nat.Chem.Biol., 8, 2012
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4GYY
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![BU of 4gyy by Molmil](/molmil-images/mine/4gyy) | Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S. | Deposit date: | 2012-09-05 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural snapshots of the reaction coordinate for O-GlcNAc transferase. Nat.Chem.Biol., 8, 2012
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4GZ6
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![BU of 4gz6 by Molmil](/molmil-images/mine/4gz6) | Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S. | Deposit date: | 2012-09-06 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structural snapshots of the reaction coordinate for O-GlcNAc transferase. Nat.Chem.Biol., 8, 2012
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4N39
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![BU of 4n39 by Molmil](/molmil-images/mine/4n39) | |
4N3B
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![BU of 4n3b by Molmil](/molmil-images/mine/4n3b) | Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26)E10Q and UDP-5SGlcNAc | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Lazarus, M.B, Herr, W, Walker, S. | Deposit date: | 2013-10-06 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | HCF-1 is cleaved in the active site of O-GlcNAc transferase. Science, 342, 2013
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4N3A
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![BU of 4n3a by Molmil](/molmil-images/mine/4n3a) | |
4N3C
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![BU of 4n3c by Molmil](/molmil-images/mine/4n3c) | |
3TAX
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![BU of 3tax by Molmil](/molmil-images/mine/3tax) | A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase | Descriptor: | Casein kinase II subunit alpha, FORMYL GROUP, SULFATE ION, ... | Authors: | Lazarus, M.B, Jiang, J, Pasquina, L, Sliz, P, Walker, S. | Deposit date: | 2011-08-04 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A neutral diphosphate mimic crosslinks the active site of human O-GlcNAc transferase. Nat.Chem.Biol., 8, 2011
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5HGV
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![BU of 5hgv by Molmil](/molmil-images/mine/5hgv) | Structure of an O-GlcNAc transferase point mutant, D554N in complex with peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, TYR-PRO-GLY-GLY-SER-THR-PRO-VAL-SER-SER-ALA-ASN-MET-MET, ... | Authors: | Janetzko, J, Lazarus, M.B, Walker, S. | Deposit date: | 2016-01-08 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | How the glycosyltransferase OGT catalyzes amide bond cleavage. Nat.Chem.Biol., 12, 2016
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6B89
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![BU of 6b89 by Molmil](/molmil-images/mine/6b89) | E. coli LptB in complex with ADP and novobiocin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION, ... | Authors: | May, J.M, Lazarus, M.B, Sherman, D.J, Owens, T.W, Mandler, M.D, Kahne, D.K. | Deposit date: | 2017-10-05 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport. J. Am. Chem. Soc., 139, 2017
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6B8B
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![BU of 6b8b by Molmil](/molmil-images/mine/6b8b) | E. coli LptB in complex with ADP and a novobiocin derivative | Descriptor: | (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Mandler, M.D, Owens, T.W, Lazarus, M.B, May, J.M, Kahne, D.K. | Deposit date: | 2017-10-06 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport. J. Am. Chem. Soc., 139, 2017
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6MA3
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![BU of 6ma3 by Molmil](/molmil-images/mine/6ma3) | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 2a | Descriptor: | 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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6MA2
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![BU of 6ma2 by Molmil](/molmil-images/mine/6ma2) | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor ent-1a | Descriptor: | Host Cell Factor 1 peptide, N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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6MA4
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![BU of 6ma4 by Molmil](/molmil-images/mine/6ma4) | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 3a | Descriptor: | 5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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6MA5
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![BU of 6ma5 by Molmil](/molmil-images/mine/6ma5) | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 1a | Descriptor: | Host Cell Factor 1 peptide, N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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6MA1
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![BU of 6ma1 by Molmil](/molmil-images/mine/6ma1) | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 4a | Descriptor: | Host Cell Factor 1 peptide, N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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8E8U
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![BU of 8e8u by Molmil](/molmil-images/mine/8e8u) | Structure of the LOR domain of human AASS | Descriptor: | Alpha-aminoadipic semialdehyde synthase, mitochondrial, MAGNESIUM ION | Authors: | Khamrui, S, Lazarus, M.B. | Deposit date: | 2022-08-25 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1. Open Biology, 12, 2022
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8E8T
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![BU of 8e8t by Molmil](/molmil-images/mine/8e8t) | Structure of the short LOR domain of human AASS | Descriptor: | Alpha-aminoadipic semialdehyde synthase, mitochondrial | Authors: | Khamrui, S, Lazarus, M.B. | Deposit date: | 2022-08-25 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1. Open Biology, 12, 2022
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