7QO1
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![BU of 7qo1 by Molmil](/molmil-images/mine/7qo1) | complex of DNA ligase I and FEN1 on PCNA and DNA | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA ligase 1, Flap endonuclease 1, ... | Authors: | Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A. | Deposit date: | 2021-12-23 | Release date: | 2023-01-11 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing. Nat Commun, 13, 2022
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6HHF
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![BU of 6hhf by Molmil](/molmil-images/mine/6hhf) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | Descriptor: | Borussertib, RAC-alpha serine/threonine-protein kinase | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
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6HHI
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![BU of 6hhi by Molmil](/molmil-images/mine/6hhi) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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6OFC
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![BU of 6ofc by Molmil](/molmil-images/mine/6ofc) | Crystal structure of M. tuberculosis glutamine-dependent NAD+ synthetase complexed with Sulfonamide derivative 1, pyrophosphate, and glutamine | Descriptor: | 5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine, CHLORIDE ION, GLUTAMINE, ... | Authors: | Chuenchor, W, Doukov, T.I, Gerratana, B. | Deposit date: | 2019-03-28 | Release date: | 2020-01-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Different ways to transport ammonia in human and Mycobacterium tuberculosis NAD+synthetases. Nat Commun, 11, 2020
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6HHG
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![BU of 6hhg by Molmil](/molmil-images/mine/6hhg) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27 | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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6HHJ
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![BU of 6hhj by Molmil](/molmil-images/mine/6hhj) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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6HHH
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![BU of 6hhh by Molmil](/molmil-images/mine/6hhh) | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 31 | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt. Chem Sci, 10, 2019
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2VWB
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![BU of 2vwb by Molmil](/molmil-images/mine/2vwb) | Structure of the archaeal Kae1-Bud32 fusion protein MJ1130: a model for the eukaryotic EKC-KEOPS subcomplex involved in transcription and telomere homeostasis. | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PUTATIVE O-SIALOGLYCOPROTEIN ENDOPEPTIDASE | Authors: | Hecker, A, Lopreiato, R, Graille, M, Collinet, B, Forterre, P, Domenico, L, van Tilbeurgh, H. | Deposit date: | 2008-06-20 | Release date: | 2008-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structure of the Archaeal Kae1/Bud32 Fusion Protein Mj1130: A Model for the Eukaryotic Ekc/Keops Subcomplex Embo J., 27, 2008
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8HZ4
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![BU of 8hz4 by Molmil](/molmil-images/mine/8hz4) | |
6VR0
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![BU of 6vr0 by Molmil](/molmil-images/mine/6vr0) | Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A | Descriptor: | GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION | Authors: | Mascarenhas, R.N, Liu, D, Ballicora, M, Iglesias, A, Asencion, M, Figueroa, C. | Deposit date: | 2020-02-06 | Release date: | 2021-02-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A To Be Published
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6HQV
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![BU of 6hqv by Molmil](/molmil-images/mine/6hqv) | Pentafunctional AROM Complex from Chaetomium thermophilum | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, GLUTAMIC ACID, ... | Authors: | Arora Verasto, H, Hartmann, M.D. | Deposit date: | 2018-09-25 | Release date: | 2020-05-06 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Architecture and functional dynamics of the pentafunctional AROM complex. Nat.Chem.Biol., 16, 2020
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7RPW
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![BU of 7rpw by Molmil](/molmil-images/mine/7rpw) | |
7RPO
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![BU of 7rpo by Molmil](/molmil-images/mine/7rpo) | |
7RPX
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![BU of 7rpx by Molmil](/molmil-images/mine/7rpx) | |
7KR3
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![BU of 7kr3 by Molmil](/molmil-images/mine/7kr3) | |
7L34
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![BU of 7l34 by Molmil](/molmil-images/mine/7l34) | Human DNA Ligase 1 - R641L nicked DNA complex | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Tumbale, P.P, Williams, R.S, Schellenberg, M.S. | Deposit date: | 2020-12-17 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | LIG1 syndrome mutations remodel a cooperative network of ligand binding interactions to compromise ligation efficiency. Nucleic Acids Res., 49, 2021
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7KR4
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![BU of 7kr4 by Molmil](/molmil-images/mine/7kr4) | |
7L35
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![BU of 7l35 by Molmil](/molmil-images/mine/7l35) | Human DNA Ligase 1 - R771W nicked DNA complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tumbale, P.P, Williams, R.S, Schellenberg, M.S. | Deposit date: | 2020-12-17 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | LIG1 syndrome mutations remodel a cooperative network of ligand binding interactions to compromise ligation efficiency. Nucleic Acids Res., 49, 2021
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2P02
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![BU of 2p02 by Molmil](/molmil-images/mine/2p02) | Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2 | Descriptor: | CHLORIDE ION, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-2 | Authors: | Papagrigoriou, E, Shafqat, N, Rojkova, A, Niessen, F.H, Kavanagh, K.L, von Delft, F, Gorrec, F, Ugochukwu, E, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-28 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2 To be Published
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2OBV
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![BU of 2obv by Molmil](/molmil-images/mine/2obv) | Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with the product | Descriptor: | S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-1, SODIUM ION, ... | Authors: | Pilka, E.S, Shafqat, N, Kavanagh, K.L, Cooper, C, Hozjan, V, Turnbull, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-20 | Release date: | 2007-01-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with the product. To be Published
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6P0B
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![BU of 6p0b by Molmil](/molmil-images/mine/6p0b) | Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+ | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ... | Authors: | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | Deposit date: | 2019-05-16 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
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7NH4
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![BU of 7nh4 by Molmil](/molmil-images/mine/7nh4) | |
7NH5
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![BU of 7nh5 by Molmil](/molmil-images/mine/7nh5) | |
6P0A
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![BU of 6p0a by Molmil](/molmil-images/mine/6p0a) | Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 2 mM Mg2+ | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | Deposit date: | 2019-05-16 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
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6P0D
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![BU of 6p0d by Molmil](/molmil-images/mine/6p0d) | Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, hydroxyl terminated DNA nick | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ... | Authors: | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | Deposit date: | 2019-05-16 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
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