6K39
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![BU of 6k39 by Molmil](/molmil-images/mine/6k39) | Structural analysis of AIMP2-DX2 and HSP70 interaction | Descriptor: | Heat shock 70 kDa protein 1A,Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 | Authors: | Cho, H.Y, Son, S.Y, Jeon, Y.H. | Deposit date: | 2019-05-16 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3981427 Å) | Cite: | Targeting the interaction of AIMP2-DX2 with HSP70 suppresses cancer development. Nat.Chem.Biol., 16, 2020
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6NU6
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![BU of 6nu6 by Molmil](/molmil-images/mine/6nu6) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5 | Descriptor: | 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, ATP-dependent dethiobiotin synthetase BioD, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-31 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5 To Be Published
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6NWN
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![BU of 6nwn by Molmil](/molmil-images/mine/6nwn) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10 | Descriptor: | 5'-{[N-({(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-L-gamma-glutamyl]amino}-2',5'-dideoxycytidine, ATP-dependent dethiobiotin synthetase BioD, CITRIC ACID | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-06 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10 To Be Published
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6NVE
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![BU of 6nve by Molmil](/molmil-images/mine/6nve) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7 | Descriptor: | 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-05 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7 To Be Published
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7QNZ
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![BU of 7qnz by Molmil](/molmil-images/mine/7qnz) | human Lig1-DNA-PCNA complex reconstituted in absence of ATP | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA ligase 1, Oligo13P, ... | 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 (4.58 Å) | Cite: | Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing. Nat Commun, 13, 2022
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4NM5
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![BU of 4nm5 by Molmil](/molmil-images/mine/4nm5) | Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 c-motif | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Axin-1, CHLORIDE ION, ... | Authors: | Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-11-14 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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5L3P
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![BU of 5l3p by Molmil](/molmil-images/mine/5l3p) | |
1QM4
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![BU of 1qm4 by Molmil](/molmil-images/mine/1qm4) | Methionine Adenosyltransferase Complexed with a L-Methionine Analogue | Descriptor: | L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID, MAGNESIUM ION, METHIONINE ADENOSYLTRANSFERASE, ... | Authors: | Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J. | Deposit date: | 1999-09-20 | Release date: | 2000-09-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | The Crystal Structure of Tetrameric Methionine Adenosyltransferase from Rat Liver Reveals the Methionine-Binding Site J.Mol.Biol., 300, 2000
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1ULZ
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![BU of 1ulz by Molmil](/molmil-images/mine/1ulz) | Crystal structure of the biotin carboxylase subunit of pyruvate carboxylase | Descriptor: | pyruvate carboxylase n-terminal domain | Authors: | Kondo, S, Nakajima, Y, Sugio, S, Yong-Biao, J, Sueda, S, Kondo, H. | Deposit date: | 2003-09-18 | Release date: | 2004-03-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the biotin carboxylase subunit of pyruvate carboxylase from Aquifex aeolicus at 2.2 A resolution. Acta Crystallogr.,Sect.D, 60, 2004
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4NM7
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![BU of 4nm7 by Molmil](/molmil-images/mine/4nm7) | Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 e-motif | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | Authors: | Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-11-14 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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6LTW
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![BU of 6ltw by Molmil](/molmil-images/mine/6ltw) | Crystal structure of Apo form of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, S-adenosylmethionine synthase | Authors: | Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D. | Deposit date: | 2020-01-23 | Release date: | 2020-10-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions. Angew.Chem.Int.Ed.Engl., 60, 2021
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6LTV
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![BU of 6ltv by Molmil](/molmil-images/mine/6ltv) | Crystal Structure of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine) | Descriptor: | MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ... | Authors: | Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D. | Deposit date: | 2020-01-23 | Release date: | 2020-10-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ASV
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![BU of 6asv by Molmil](/molmil-images/mine/6asv) | E. coli PRPP Synthetase | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Ribose-phosphate pyrophosphokinase | Authors: | French, J.B, Zhou, W. | Deposit date: | 2017-08-25 | Release date: | 2019-01-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of E. coli PRPP synthetase. BMC Struct. Biol., 19, 2019
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3HVC
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![BU of 3hvc by Molmil](/molmil-images/mine/3hvc) | Crystal structure of human p38alpha MAP kinase | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | Perry, J.J, Tainer, J.A. | Deposit date: | 2009-06-15 | Release date: | 2009-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses. J.Mol.Biol., 391, 2009
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7KC7
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![BU of 7kc7 by Molmil](/molmil-images/mine/7kc7) | Biotin Carboxylase domain of Thermophilic 2-Oxoglutarate Carboxylase bound to ADP without Magnesium with disordered phosphate tail | Descriptor: | 2-oxoglutarate carboxylase small subunit, ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION | Authors: | Buhrman, G.K, Rose, R.B, Enriquez, P, Truong, V. | Deposit date: | 2020-10-05 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure, Function, and Thermal Adaptation of the Biotin Carboxylase Domain Dimer from Hydrogenobacter thermophilus 2-Oxoglutarate Carboxylase. Biochemistry, 60, 2021
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7KCT
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![BU of 7kct by Molmil](/molmil-images/mine/7kct) | Crystal Structure of the Hydrogenobacter thermophilus 2-Oxoglutarate Carboxylase (OGC) Biotin Carboxylase (BC) Domain Dimer in Complex with Adenosine 5'-Diphosphate Magnesium Salt (MgADP), Adenosine 5'-Diphosphate (ADP, and Bicarbonate Anion (Hydrogen Carbonate/HCO3-) | Descriptor: | 2-oxoglutarate carboxylase small subunit, ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, ... | Authors: | Buhrman, G.K, Rose, R.B, Enriquez, P, Truong, V. | Deposit date: | 2020-10-07 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure, Function, and Thermal Adaptation of the Biotin Carboxylase Domain Dimer from Hydrogenobacter thermophilus 2-Oxoglutarate Carboxylase. Biochemistry, 60, 2021
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7KBL
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![BU of 7kbl by Molmil](/molmil-images/mine/7kbl) | Biotin Carboxylase domain of Thermophilic 2-Oxoglutarate Carboxylase bound to Bicarbonate | Descriptor: | 2-oxoglutarate carboxylase small subunit, BICARBONATE ION | Authors: | Buhrman, G.K, Rose, R.B, Enriquez, P, Truong, V. | Deposit date: | 2020-10-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure, Function, and Thermal Adaptation of the Biotin Carboxylase Domain Dimer from Hydrogenobacter thermophilus 2-Oxoglutarate Carboxylase. Biochemistry, 60, 2021
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4J1R
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![BU of 4j1r by Molmil](/molmil-images/mine/4j1r) | Crystal Structure of GSK3b in complex with inhibitor 15R | Descriptor: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-01 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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4J71
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![BU of 4j71 by Molmil](/molmil-images/mine/4j71) | Crystal Structure of GSK3b in complex with inhibitor 1R | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-12 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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4KRD
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![BU of 4krd by Molmil](/molmil-images/mine/4krd) | Crystal Structure of Pho85-Pcl10 Complex | Descriptor: | Cyclin-dependent protein kinase PHO85, PHO85 cyclin-10 | Authors: | Quiocho, F.A, Zheng, F. | Deposit date: | 2013-05-16 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition. J.Biol.Chem., 288, 2013
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1KQP
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![BU of 1kqp by Molmil](/molmil-images/mine/1kqp) | NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS AT 1 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, ... | Authors: | Symersky, J, Devedjiev, Y, Moore, K, Brouillette, C, DeLucas, L. | Deposit date: | 2002-01-07 | Release date: | 2002-06-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | NH3-dependent NAD+ synthetase from Bacillus subtilis at 1 A resolution. Acta Crystallogr.,Sect.D, 58, 2002
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3CQU
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![BU of 3cqu by Molmil](/molmil-images/mine/3cqu) | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase | Authors: | Pandit, J. | Deposit date: | 2008-04-03 | Release date: | 2008-05-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure based optimization of novel Akt inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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3CQW
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![BU of 3cqw by Molmil](/molmil-images/mine/3cqw) | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | Descriptor: | 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, Glycogen synthase kinase-3 beta, MANGANESE (II) ION, ... | Authors: | Pandit, J. | Deposit date: | 2008-04-03 | Release date: | 2008-05-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis and structure based optimization of novel Akt inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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3C8Z
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![BU of 3c8z by Molmil](/molmil-images/mine/3c8z) | The 1.6 A Crystal Structure of MshC: The Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE, Cysteinyl-tRNA synthetase, ... | Authors: | Tremblay, L.W, Fan, F, Vetting, M.W, Blanchard, J.S. | Deposit date: | 2008-02-14 | Release date: | 2008-12-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The 1.6 A crystal structure of Mycobacterium smegmatis MshC: the penultimate enzyme in the mycothiol biosynthetic pathway. Biochemistry, 47, 2008
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3G8C
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![BU of 3g8c by Molmil](/molmil-images/mine/3g8c) | Crystal Structure of Biotin Carboxylase in Complex with Biotin, Bicarbonate, ADP and Mg Ion | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, BIOTIN, ... | Authors: | Chou, C.Y, Yu, L.P, Tong, L. | Deposit date: | 2009-02-12 | Release date: | 2009-03-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of biotin carboxylase in complex with substrates and implications for its catalytic mechanism. J.Biol.Chem., 284, 2009
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