4A2U
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![BU of 4a2u by Molmil](/molmil-images/mine/4a2u) | CRP(CAP) from Myco. Tuberculosis, with cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY CRP/ FNR-FAMILY) | Authors: | Gallagher, D.T, Reddy, P.T. | Deposit date: | 2011-09-28 | Release date: | 2012-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | A New Crystal Form of Crp from M. Tuberculosis and Conformational Effects of Crystal Packing To be Published
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3REX
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![BU of 3rex by Molmil](/molmil-images/mine/3rex) | Crystal structure of the archaeal asparagine synthetase A complexed with Adenosine monophosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, AsnS-like asparaginyl-tRNA synthetase related protein, MAGNESIUM ION | Authors: | Blaise, M, Frechin, M, Charron, C, Roy, H, Sauter, C, Lorber, B, Olieric, V, Kern, D. | Deposit date: | 2011-04-05 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases. J.Mol.Biol., 412, 2011
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3RL6
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![BU of 3rl6 by Molmil](/molmil-images/mine/3rl6) | Crystal structure of the archaeal asparagine synthetase A complexed with L-Asparagine and Adenosine monophosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, ASPARAGINE, Archaeal asparagine synthetase A, ... | Authors: | Blaise, M, Frechin, M, Charron, C, Roy, H, Sauter, C, Lorber, B, Olieric, V, Kern, D. | Deposit date: | 2011-04-19 | Release date: | 2011-08-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases. J.Mol.Biol., 412, 2011
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7C43
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5LLB
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6EWZ
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6JOM
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![BU of 6jom by Molmil](/molmil-images/mine/6jom) | Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae | Descriptor: | 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase | Authors: | Zhang, H, Chen, H, Ma, G. | Deposit date: | 2019-03-22 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae. Front Cell Infect Microbiol, 10, 2020
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6F33
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![BU of 6f33 by Molmil](/molmil-images/mine/6f33) | Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with AMPNPP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, ... | Authors: | Dohler, C, Zebisch, M, Strater, N. | Deposit date: | 2017-11-27 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3). Sci Rep, 8, 2018
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6KJM
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![BU of 6kjm by Molmil](/molmil-images/mine/6kjm) | Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ... | Authors: | Ramachandran, R, Shukla, A, Afsar, M. | Deposit date: | 2019-07-22 | Release date: | 2020-07-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A. J.Struct.Biol., 213, 2021
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6HE2
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![BU of 6he2 by Molmil](/molmil-images/mine/6he2) | Crystal structure of an open conformation of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in complex with 2-HIB-AMP and CoA | Descriptor: | 2-hydroxyisobutyryl-CoA synthetase, ADENOSINE MONOPHOSPHATE, COENZYME A, ... | Authors: | Zahn, M, Rohwerder, T, Strater, N. | Deposit date: | 2018-08-20 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle. J.Mol.Biol., 431, 2019
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6QJZ
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6O47
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![BU of 6o47 by Molmil](/molmil-images/mine/6o47) | human cGAS core domain (K427E/K428E) bound with RU-521 | Descriptor: | (3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one, 2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one, CITRIC ACID, ... | Authors: | Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J. | Deposit date: | 2019-02-28 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation. Proc.Natl.Acad.Sci.USA, 116, 2019
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3EHA
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1YXT
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![BU of 1yxt by Molmil](/molmil-images/mine/1yxt) | Crystal Structure of Kinase Pim1 in complex with AMPPNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Kumar, A, Mandiyan, V, Suzuki, Y, Zhang, C, Rice, J, Tsai, J, Artis, D.R, Ibrahim, P, Bremer, R. | Deposit date: | 2005-02-22 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of proto-oncogene kinase Pim1: a target of aberrant somatic hypermutations in diffuse large cell lymphoma. J.Mol.Biol., 348, 2005
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6LTB
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5MSC
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5MSQ
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8UYH
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![BU of 8uyh by Molmil](/molmil-images/mine/8uyh) | Structure of AMP-PNP-bound Pediculus humanus (Ph) PINK1 dimer | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Pink1, ... | Authors: | Gan, Z.Y, Kirk, N.S, Leis, A, Komander, D. | Deposit date: | 2023-11-13 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Interaction of PINK1 with nucleotides and kinetin. Sci Adv, 10, 2024
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1W1I
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![BU of 1w1i by Molmil](/molmil-images/mine/1w1i) | Crystal structure of dipeptidyl peptidase IV (DPPIV or CD26) in complex with adenosine deaminase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | Deposit date: | 2004-06-22 | Release date: | 2004-09-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Crystal structure of CD26/dipeptidyl-peptidase IV in complex with adenosine deaminase reveals a highly amphiphilic interface. J. Biol. Chem., 279, 2004
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5MSD
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5MSW
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5MSS
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8HLK
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![BU of 8hlk by Molmil](/molmil-images/mine/8hlk) | Structure of McyB-C1A1 complexed with L-Leu and AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, LEUCINE, Microcystin synthetase B (Fragment) | Authors: | Peng, Y.J. | Deposit date: | 2022-11-30 | Release date: | 2023-12-13 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Modular catalytic activity of nonribosomal peptide synthetases depends on the dynamic interaction between adenylation and condensation domains. Structure, 32, 2024
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1MZV
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![BU of 1mzv by Molmil](/molmil-images/mine/1mzv) | Crystal Structure of Adenine Phosphoribosyltransferase (APRT) From Leishmania tarentolae | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenine Phosphoribosyltransferase, PHOSPHATE ION | Authors: | Thiemann, O.H, Silva, M, Oliva, G, Silva, C.H.T.P, Iulek, J. | Deposit date: | 2002-10-10 | Release date: | 2003-10-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of adenine phosphoribosyltransferase from Leishmania tarentolae: potential implications for APRT catalytic mechanism. Biochim.Biophys.Acta, 1696, 2004
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6MJW
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![BU of 6mjw by Molmil](/molmil-images/mine/6mjw) | human cGAS catalytic domain bound with the inhibitor G150 | Descriptor: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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