6AAK
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![BU of 6aak by Molmil](/molmil-images/mine/6aak) | Crystal structure of JAK3 in complex with peficitinib | Descriptor: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK3 | Authors: | Amano, Y. | Deposit date: | 2018-07-18 | Release date: | 2018-08-15 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor Bioorg. Med. Chem., 26, 2018
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6PNN
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6PNM
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6PNO
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1OD6
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![BU of 1od6 by Molmil](/molmil-images/mine/1od6) | The Crystal Structure of Phosphopantetheine adenylyltransferase from Thermus Thermophilus in complex with 4'-phosphopantetheine | Descriptor: | 4'-PHOSPHOPANTETHEINE, PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE, SULFATE ION | Authors: | Takahashi, H, Inagaki, E, Miyano, M, Tahirov, T.H. | Deposit date: | 2003-02-13 | Release date: | 2003-03-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and Implications for the Thermal Stability of Phosphopantetheine Adenylyltransferase from Thermus Thermophilus. Acta Crystallogr.,Sect.D, 60, 2004
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2E1U
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2E1V
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![BU of 2e1v by Molmil](/molmil-images/mine/2e1v) | Crystal structure of Dendranthema morifolium DmAT, seleno-methionine derivative | Descriptor: | acyl transferase | Authors: | Unno, H, Ichimaida, F, Kusunoki, M, Nakayama, T. | Deposit date: | 2006-10-28 | Release date: | 2007-04-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Mutational Studies of Anthocyanin Malonyltransferases Establish the Features of BAHD Enzyme Catalysis J.Biol.Chem., 282, 2007
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2E1T
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![BU of 2e1t by Molmil](/molmil-images/mine/2e1t) | Crystal structure of Dendranthema morifolium DmAT complexed with malonyl-CoA | Descriptor: | MALONYL-COENZYME A, acyl transferase | Authors: | Unno, H, Ichimaida, F, Kusunoki, M, Nakayama, T. | Deposit date: | 2006-10-28 | Release date: | 2007-04-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Mutational Studies of Anthocyanin Malonyltransferases Establish the Features of BAHD Enzyme Catalysis J.Biol.Chem., 282, 2007
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8WGT
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![BU of 8wgt by Molmil](/molmil-images/mine/8wgt) | Crystal structure of V30M-TTR in complex with compound 7 | Descriptor: | Transthyretin, [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-09-22 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma. J.Med.Chem., 67, 2024
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8WGS
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![BU of 8wgs by Molmil](/molmil-images/mine/8wgs) | Crystal structure of V30M-TTR in complex with compound 4 | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-09-22 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma. J.Med.Chem., 67, 2024
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8WGU
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![BU of 8wgu by Molmil](/molmil-images/mine/8wgu) | Crystal structure of V30M-TTR in complex with compound 20 | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-09-22 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.508 Å) | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma. J.Med.Chem., 67, 2024
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7CCS
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![BU of 7ccs by Molmil](/molmil-images/mine/7ccs) | Consensus mutated xCT-CD98hc complex | Descriptor: | 4F2 cell-surface antigen heavy chain, Consensus mutated Anionic Amino Acid Transporter Light Chain, Xc- System | Authors: | Oda, K, Lee, Y, Takemoto, M, Yamashita, K, Nishizawa, T, Nureki, O. | Deposit date: | 2020-06-17 | Release date: | 2020-12-09 | Last modified: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Consensus mutagenesis approach improves the thermal stability of system x c - transporter, xCT, and enables cryo-EM analyses. Protein Sci., 29, 2020
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6KMC
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![BU of 6kmc by Molmil](/molmil-images/mine/6kmc) | Crystal structure of a Streptococcal protein G B1 mutant | Descriptor: | ACETIC ACID, Immunoglobulin G-binding protein G B1 | Authors: | Watanabe, H, Honda, S. | Deposit date: | 2019-07-31 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Histidine-Mediated Intramolecular Electrostatic Repulsion for Controlling pH-Dependent Protein-Protein Interaction. Acs Chem.Biol., 14, 2019
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4EN6
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![BU of 4en6 by Molmil](/molmil-images/mine/4en6) | Crystal structure of HA70 (HA3) subcomponent of Clostridium botulinum type C progenitor toxin in complex with alpha 2-3-sialyllactose | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Hemagglutinin components HA-22/23/53, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Yamashita, S, Yoshida, H, Tonozuka, T, Nishikawa, A, Kamitori, S. | Deposit date: | 2012-04-12 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Carbohydrate recognition mechanism of HA70 from Clostridium botulinum deduced from X-ray structures in complexes with sialylated oligosaccharides Febs Lett., 586, 2012
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4EN7
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![BU of 4en7 by Molmil](/molmil-images/mine/4en7) | Crystal structure of HA70 (HA3) subcomponent of Clostridium botulinum type C progenitor toxin in complex with alpha 2-3-sialyllactosamine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Hemagglutinin components HA-22/23/53, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yamashita, S, Yoshida, H, Tonozuka, T, Nishikawa, A, Kamitori, S. | Deposit date: | 2012-04-12 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Carbohydrate recognition mechanism of HA70 from Clostridium botulinum deduced from X-ray structures in complexes with sialylated oligosaccharides Febs Lett., 586, 2012
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4EN8
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![BU of 4en8 by Molmil](/molmil-images/mine/4en8) | Crystal structure of HA70 (HA3) subcomponent of Clostridium botulinum type C progenitor toxin in complex with alpha 2-6-sialyllactose | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Hemagglutinin components HA-22/23/53, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Yamashita, S, Yoshida, H, Tonozuka, T, Nishikawa, A, Kamitori, S. | Deposit date: | 2012-04-12 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Carbohydrate recognition mechanism of HA70 from Clostridium botulinum deduced from X-ray structures in complexes with sialylated oligosaccharides Febs Lett., 586, 2012
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4EN9
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![BU of 4en9 by Molmil](/molmil-images/mine/4en9) | Crystal structure of HA70 (HA3) subcomponent of Clostridium botulinum type C progenitor toxin in complex with alpha 2-6-sialyllactosamine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Hemagglutinin components HA-22/23/53, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yamashita, S, Yoshida, H, Tonozuka, T, Nishikawa, A, Kamitori, S. | Deposit date: | 2012-04-12 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Carbohydrate recognition mechanism of HA70 from Clostridium botulinum deduced from X-ray structures in complexes with sialylated oligosaccharides Febs Lett., 586, 2012
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5XSZ
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![BU of 5xsz by Molmil](/molmil-images/mine/5xsz) | Crystal structure of zebrafish lysophosphatidic acid receptor LPA6 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lysophosphatidic acid receptor 6a,Endolysin,Lysophosphatidic acid receptor 6a | Authors: | Taniguchi, R, Nishizawa, T, Ishitani, R, Nureki, O. | Deposit date: | 2017-06-16 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into ligand recognition by the lysophosphatidic acid receptor LPA6 Nature, 548, 2017
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8S0P
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![BU of 8s0p by Molmil](/molmil-images/mine/8s0p) | A fragment-based inhibitor of SHP2 | Descriptor: | 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-14 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0O
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![BU of 8s0o by Molmil](/molmil-images/mine/8s0o) | A fragment-based inhibitor of SHP2 | Descriptor: | 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-14 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.834 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0J
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![BU of 8s0j by Molmil](/molmil-images/mine/8s0j) | A fragment-based inhibitor of SHP2 | Descriptor: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-14 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8RZW
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![BU of 8rzw by Molmil](/molmil-images/mine/8rzw) | A fragment-based inhibitor of SHP2 | Descriptor: | 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S06
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![BU of 8s06 by Molmil](/molmil-images/mine/8s06) | A fragment-based inhibitor of SHP2 | Descriptor: | 1H-pyrrolo[3,2-b]pyridin-7-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8RZY
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![BU of 8rzy by Molmil](/molmil-images/mine/8rzy) | A fragment-based inhibitor of SHP2 | Descriptor: | 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S07
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![BU of 8s07 by Molmil](/molmil-images/mine/8s07) | A fragment-based inhibitor of SHP2 | Descriptor: | 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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