3I1A
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![BU of 3i1a by Molmil](/molmil-images/mine/3i1a) | Crystal Structure of apo Spectinomycin Phosphotransferase, APH(9)-Ia | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Spectinomycin phosphotransferase, ... | Authors: | Berghuis, A.M, Fong, D.H, Lemke, C.T, Hwang, J, Xiong, B. | Deposit date: | 2009-06-25 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the antibiotic resistance factor spectinomycin phosphotransferase from Legionella pneumophila. J.Biol.Chem., 285, 2010
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3B6J
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![BU of 3b6j by Molmil](/molmil-images/mine/3b6j) | WrbA from Escherichia coli, NADH complex | Descriptor: | ADENOSINE MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, Flavoprotein wrbA, ... | Authors: | Andrade, S.L.A, Patridge, E.V, Ferry, J.G, Einsle, O. | Deposit date: | 2007-10-29 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the NADH:quinone oxidoreductase WrbA from Escherichia coli. J.Bacteriol., 189, 2007
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4D56
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![BU of 4d56 by Molmil](/molmil-images/mine/4d56) | Understanding bi-specificity of A-domains | Descriptor: | ADENOSINE MONOPHOSPHATE, APNAA1, GLYCEROL, ... | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | Deposit date: | 2014-11-03 | Release date: | 2015-07-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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3A8T
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![BU of 3a8t by Molmil](/molmil-images/mine/3a8t) | Plant adenylate isopentenyltransferase in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenylate isopentenyltransferase, PHOSPHATE ION | Authors: | Chu, H.-M, Ko, T.-P, Wang, A.H.-J. | Deposit date: | 2009-10-09 | Release date: | 2009-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Crystal structure and substrate specificity of plant adenylate isopentenyltransferase from Humulus lupulus: distinctive binding affinity for purine and pyrimidine nucleotides Nucleic Acids Res., 38, 2010
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3A9C
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![BU of 3a9c by Molmil](/molmil-images/mine/3a9c) | Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakaraensis KOD1 in complex with ribulose-1,5-bisphosphate | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, RIBULOSE-1,5-DIPHOSPHATE, ... | Authors: | Nakamura, A, Fujihashi, M, Nishiba, Y, Yoshida, S, Yano, A, Atomi, H, Imanaka, T, Miki, K. | Deposit date: | 2009-10-22 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Dynamic, ligand-dependent conformational change triggers reaction of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1 J.Biol.Chem., 287, 2012
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5V4L
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1O6Y
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![BU of 1o6y by Molmil](/molmil-images/mine/1o6y) | Catalytic domain of PknB kinase from Mycobacterium tuberculosis | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE PKNB | Authors: | Ortiz-Lombardia, M, Pompeo, F, Boitel, B, Alzari, P.M, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-21 | Release date: | 2003-01-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Pknb Serine/Threonine Kinase from Mycobacterium Tuberculosis J.Biol.Chem., 278, 2003
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4DG8
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![BU of 4dg8 by Molmil](/molmil-images/mine/4dg8) | Structure of PA1221, an NRPS protein containing adenylation and PCP domains | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE MONOPHOSPHATE, PA1221 | Authors: | Mitchell, C.A, Shi, C, Aldrich, C.C, Gulick, A.M. | Deposit date: | 2012-01-25 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of PA1221, a Nonribosomal Peptide Synthetase Containing Adenylation and Peptidyl Carrier Protein Domains. Biochemistry, 51, 2012
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2ZE8
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3C85
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7PIE
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![BU of 7pie by Molmil](/molmil-images/mine/7pie) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN068 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.427 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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7PIG
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![BU of 7pig by Molmil](/molmil-images/mine/7pig) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN088 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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7PID
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![BU of 7pid by Molmil](/molmil-images/mine/7pid) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN060 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.496 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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7PIF
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![BU of 7pif by Molmil](/molmil-images/mine/7pif) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN086 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile, CHLORIDE ION, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.395 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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7PIH
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![BU of 7pih by Molmil](/molmil-images/mine/7pih) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN093 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one, CHLORIDE ION, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-08-19 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.374 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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7PNS
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![BU of 7pns by Molmil](/molmil-images/mine/7pns) | Protein kinase A catalytic subunit in complex with PKI5-24 and EN081 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | Deposit date: | 2021-09-07 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
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6AWA
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![BU of 6awa by Molmil](/molmil-images/mine/6awa) | 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate. | Descriptor: | ADENOSINE MONOPHOSPHATE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-09-05 | Release date: | 2017-10-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate. To Be Published
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6ANH
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6PWG
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![BU of 6pwg by Molmil](/molmil-images/mine/6pwg) | Ewingella americana HopBF1 kinase bound to AMP-PNP | Descriptor: | 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Type III effector HopBF1 | Authors: | Tomchick, D.R, Tagliabracci, V.S, Park, B.C. | Deposit date: | 2019-07-23 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Bacterial Effector Mimics a Host HSP90 Client to Undermine Immunity. Cell, 179, 2019
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7LW1
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![BU of 7lw1 by Molmil](/molmil-images/mine/7lw1) | Human phosphofructokinase-1 liver type bound to activator NA-11 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Lynch, E.M, Kollman, J.M, Webb, B. | Deposit date: | 2021-02-27 | Release date: | 2022-01-26 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Selective activation of PFKL suppresses the phagocytic oxidative burst. Cell, 184, 2021
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4CS9
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![BU of 4cs9 by Molmil](/molmil-images/mine/4cs9) | Crystal structure of the asymmetric human metapneumovirus M2-1 tetramer bound to adenosine monophosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, M2-1, ZINC ION | Authors: | Leyrat, C, Renner, M, Harlos, K, Grimes, J.M. | Deposit date: | 2014-03-05 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Drastic Changes in Conformational Dynamics of the Antiterminator M2-1 Regulate Transcription Efficiency in Pneumovirinae. Elife, 3, 2014
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2ZCW
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![BU of 2zcw by Molmil](/molmil-images/mine/2zcw) | Crystal Structure of TTHA1359, a Transcriptional Regulator, CRP/FNR family from Thermus thermophilus HB8 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Transcriptional regulator, FNR/CRP family | Authors: | Agari, Y, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-11-13 | Release date: | 2007-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Global gene expression mediated by Thermus thermophilus SdrP, a CRP/FNR family transcriptional regulator Mol.Microbiol., 70, 2008
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8PPA
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![BU of 8ppa by Molmil](/molmil-images/mine/8ppa) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-myo-inositol 1,4,6-trisphosphate/AMP-PNP/Mn | Descriptor: | D-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PP8
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![BU of 8pp8 by Molmil](/molmil-images/mine/8pp8) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-scyllo-inositol 1,2,4-trisphosphate/AMP-PNP/Mn | Descriptor: | Inositol-trisphosphate 3-kinase A, L-scyllo-inositol 1,2,4-trisphosphate, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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6VVG
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![BU of 6vvg by Molmil](/molmil-images/mine/6vvg) | Structure of the Cydia pomonella Granulovirus kinase, PK-1 | Descriptor: | ADENOSINE MONOPHOSPHATE, Arginine kinase | Authors: | Oliver, M.R, Horne, C.R, Keown, J.R, Murphy, J.M, Metcalf, P. | Deposit date: | 2020-02-17 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix. Nat Commun, 12, 2021
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