8PPC
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![BU of 8ppc by Molmil](/molmil-images/mine/8ppc) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-chiro-inositol 2,3,5-trisphosphate/ATP/Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, L-chiro-inositol 2,3,5-trisphosphate, ... | 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 (1.92 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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5BR1
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![BU of 5br1 by Molmil](/molmil-images/mine/5br1) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GALACTOSAMINE | Descriptor: | 2-amino-2-deoxy-alpha-D-galactopyranose, ABC transporter, binding protein | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-05-29 | Release date: | 2015-06-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine. Acta Crystallogr.,Sect.F, 72, 2016
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5BRD
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![BU of 5brd by Molmil](/molmil-images/mine/5brd) | Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor BENZ-GlcN | Descriptor: | 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose, Glucokinase 1, putative | Authors: | D'Antonio, E.L, Perry, K, Deinema, M.S, Kearns, S.P, Frey, T.A. | Deposit date: | 2015-05-30 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase. Mol.Biochem.Parasitol., 204, 2016
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4N84
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![BU of 4n84 by Molmil](/molmil-images/mine/4n84) | Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | Deposit date: | 2013-10-17 | Release date: | 2014-02-19 | Last modified: | 2014-03-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction. Angew.Chem.Int.Ed.Engl., 53, 2014
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7RWH
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![BU of 7rwh by Molmil](/molmil-images/mine/7rwh) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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8PP9
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![BU of 8pp9 by Molmil](/molmil-images/mine/8pp9) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, 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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8PPJ
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![BU of 8ppj by Molmil](/molmil-images/mine/8ppj) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate/ADP/Mn after reaction | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, 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 (1.75 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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5BNG
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![BU of 5bng by Molmil](/molmil-images/mine/5bng) | monomer of TALE type homeobox transcription factor MEIS1 complexes with specific DNA | Descriptor: | DNA (5'-D(P*AP*AP*TP*TP*AP*GP*CP*TP*GP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*CP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(P*TP*GP*AP*CP*AP*GP*CP*TP*AP*A-3'), ... | Authors: | Morgunova, E, Jolma, A, Yin, Y, Nitta, K, Dave, K, Popov, A, Taipale, M, Enge, M, Kivioja, T, Taipale, J. | Deposit date: | 2015-05-26 | Release date: | 2015-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | DNA-dependent formation of transcription factor pairs alters their binding specificity. Nature, 527, 2015
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8PPF
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![BU of 8ppf by Molmil](/molmil-images/mine/8ppf) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4-trisphosphate/AMP-PNP/Mg | Descriptor: | Inositol-trisphosphate 3-kinase A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE 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 (1.85 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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8PPI
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![BU of 8ppi by Molmil](/molmil-images/mine/8ppi) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate/ATP/Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, 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 (1.65 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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8PPD
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![BU of 8ppd by Molmil](/molmil-images/mine/8ppd) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate/ATP/Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate, Inositol-trisphosphate 3-kinase A, ... | 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 (1.77 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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8PPH
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![BU of 8pph by Molmil](/molmil-images/mine/8pph) | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with alpha-D-glucopyranosyl 1,3,4-trisphosphate/ATP/Mn | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, 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 (1.7 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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5BV6
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![BU of 5bv6 by Molmil](/molmil-images/mine/5bv6) | PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with cGMP | Descriptor: | ACETATE ION, CALCIUM ION, GUANOSINE-3',5'-MONOPHOSPHATE, ... | Authors: | Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W. | Deposit date: | 2015-06-04 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016
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4N9Q
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![BU of 4n9q by Molmil](/molmil-images/mine/4n9q) | Crystal structure of paAzoR1 bound to ubiquinone-1 | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, GLYCEROL, ... | Authors: | Ryan, A, Kaplan, E, Crescente, V, Lowe, E, Preston, G.M, Sim, E. | Deposit date: | 2013-10-21 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of NAD(P)H Quinone Oxidoreductase Activity in Azoreductases from P. aeruginosa: Azoreductases and NAD(P)H Quinone Oxidoreductases Belong to the Same FMN-Dependent Superfamily of Enzymes. Plos One, 9, 2014
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2PNY
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![BU of 2pny by Molmil](/molmil-images/mine/2pny) | Structure of Human Isopentenyl-diphosphate Delta-isomerase 2 | Descriptor: | CALCIUM ION, GLYCEROL, Isopentenyl-diphosphate Delta-isomerase 2, ... | Authors: | Walker, J.R, Davis, T, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-04-25 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure of the human Isopentenyl-diphosphate Delta-isomerase 2. To be Published
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5BPL
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![BU of 5bpl by Molmil](/molmil-images/mine/5bpl) | |
8PLZ
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![BU of 8plz by Molmil](/molmil-images/mine/8plz) | Cryo-EM structure of CAK in complex with inhibitor CT7030 | Descriptor: | (3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-06-27 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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1UJZ
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![BU of 1ujz by Molmil](/molmil-images/mine/1ujz) | Crystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein | Descriptor: | Designed Colicin E7 DNase, Designed Colicin E7 immunity protein | Authors: | Kortemme, T, Joachimiak, L.A, Bullock, A.N, Schuler, A.D, Stoddard, B.L, Baker, D. | Deposit date: | 2003-08-13 | Release date: | 2004-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computational redesign of protein-protein interaction specificity NAT.STRUCT.MOL.BIOL., 11, 2004
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3ZTW
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![BU of 3ztw by Molmil](/molmil-images/mine/3ztw) | The 3-dimensional structure of apo-MpgP, the mannosyl-3- phosphoglycerate phosphatase from Thermus thermophilus HB27 in its apo-form | Descriptor: | MANNOSYL-3-PHOSPHOGLYCERATE PHOSPHATASE, PHOSPHATE ION | Authors: | Goncalves, S, Borges, N, Esteves, A.M, Santos, H, Matias, P.M. | Deposit date: | 2011-07-12 | Release date: | 2011-10-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | The Three-Dimensional Structure of Mannosyl-3-Phosphoglycerate Phosphatase from Thermus Thermophilus Hb27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily. Biochemistry, 50, 2011
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6ERZ
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![BU of 6erz by Molmil](/molmil-images/mine/6erz) | The crystal structure of mouse chloride intracellular channel protein 6 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chloride intracellular channel protein 6, SULFATE ION | Authors: | Ferofontov, A, Giladi, M, Haitin, Y. | Deposit date: | 2017-10-19 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.923 Å) | Cite: | Inherent flexibility of CLIC6 revealed by crystallographic and solution studies. Sci Rep, 8, 2018
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1UJW
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![BU of 1ujw by Molmil](/molmil-images/mine/1ujw) | Structure of the complex between BtuB and Colicin E3 Receptor binding domain | Descriptor: | 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, 3-OXO-PENTADECANOIC ACID, ACETOACETIC ACID, ... | Authors: | Kurisu, G, Zakharov, S.D, Zhalnina, M.V, Bano, S, Eroukova, V.Y, Rokitskaya, T.I, Antonenko, Y.N, Wiener, M.C, Cramer, W.A. | Deposit date: | 2003-08-12 | Release date: | 2003-11-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The structure of BtuB with bound colicin E3 R-domain implies a translocon NAT.STRUCT.BIOL., 10, 2003
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8POL
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![BU of 8pol by Molmil](/molmil-images/mine/8pol) | Crystal structure of Plasmodium falciparum Sub1 protease | Descriptor: | CALCIUM ION, PHOSPHATE ION, Subtilisin-like protease 1 | Authors: | Martinez, M, Bouillon, A, Haouz, A, Barale, J.C, Alzari, P.M. | Deposit date: | 2023-07-05 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Prodomain-driven enzyme dimerization: a pH-dependent autoinhibition mechanism that controls Plasmodium Sub1 activity before merozoite egress. Mbio, 15, 2024
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5BUO
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![BU of 5buo by Molmil](/molmil-images/mine/5buo) | A receptor molecule | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACETATE ION, Amyloid beta A4 protein, ... | Authors: | Gao, C, Crespi, G.A.N, Gorman, M.A, Nero, T.L, Parker, M.W, Miles, L.A. | Deposit date: | 2015-06-04 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | NULL To Be Published
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1VAR
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![BU of 1var by Molmil](/molmil-images/mine/1var) | |