5VZ4
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![BU of 5vz4 by Molmil](/molmil-images/mine/5vz4) | Receptor-growth factor crystal structure at 2.20 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ... | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2017-05-26 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15. Nature, 550, 2017
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1OIT
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![BU of 1oit by Molmil](/molmil-images/mine/1oit) | Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | Descriptor: | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J. | Deposit date: | 2003-06-24 | Release date: | 2003-09-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation Bioorg.Med.Chem.Lett., 13, 2003
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3OCV
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![BU of 3ocv by Molmil](/molmil-images/mine/3ocv) | Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N complexed with 5'-AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION | Authors: | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | Deposit date: | 2010-08-10 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase. J.Mol.Biol., 404, 2010
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5ER1
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3OCY
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![BU of 3ocy by Molmil](/molmil-images/mine/3ocy) | Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase Complexed with inorganic phosphate | Descriptor: | Lipoprotein E, MAGNESIUM ION, PHOSPHATE ION | Authors: | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | Deposit date: | 2010-08-10 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase. J.Mol.Biol., 404, 2010
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3OCU
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![BU of 3ocu by Molmil](/molmil-images/mine/3ocu) | Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N complexed with NMN | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION | Authors: | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | Deposit date: | 2010-08-10 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase. J.Mol.Biol., 404, 2010
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5OQ4
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![BU of 5oq4 by Molmil](/molmil-images/mine/5oq4) | PQR309 - a Potent, Brain-Penetrant, Orally Bioavailable, pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology | Descriptor: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Williams, R.L, Zhang, X. | Deposit date: | 2017-08-10 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology. J. Med. Chem., 60, 2017
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1QAE
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4HGT
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![BU of 4hgt by Molmil](/molmil-images/mine/4hgt) | Crystal structure of ck1d with compound 13 | Descriptor: | 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform delta | Authors: | Huang, X. | Deposit date: | 2012-10-08 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors. ACS Med Chem Lett, 3, 2012
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1QRZ
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![BU of 1qrz by Molmil](/molmil-images/mine/1qrz) | CATALYTIC DOMAIN OF PLASMINOGEN | Descriptor: | PLASMINOGEN | Authors: | Peisach, E, Wang, J, de los Santos, T, Reich, E, Ringe, D. | Deposit date: | 1999-06-16 | Release date: | 1999-10-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the proenzyme domain of plasminogen. Biochemistry, 38, 1999
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4HGL
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![BU of 4hgl by Molmil](/molmil-images/mine/4hgl) | Crystal structure of ck1g3 with compound 1 | Descriptor: | 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2012-10-08 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors. ACS Med Chem Lett, 3, 2012
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3ER3
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![BU of 3er3 by Molmil](/molmil-images/mine/3er3) | The active site of aspartic proteinases | Descriptor: | 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN | Authors: | Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L. | Deposit date: | 1991-01-02 | Release date: | 1991-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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6L8T
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6MD9
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6MDA
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6MD7
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1X79
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![BU of 1x79 by Molmil](/molmil-images/mine/1x79) | Crystal structure of human GGA1 GAT domain complexed with the GAT-binding domain of Rabaptin5 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADP-ribosylation factor binding protein GGA1, Rab GTPase binding effector protein 1, ... | Authors: | Zhu, G, Zhang, X.C. | Deposit date: | 2004-08-13 | Release date: | 2004-10-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal structure of human GGA1 GAT domain complexed with the GAT-binding domain of Rabaptin5. EMBO J., 23, 2004
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6MDB
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![BU of 6mdb by Molmil](/molmil-images/mine/6mdb) | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5 | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Fodor, M, Stams, T. | Deposit date: | 2018-09-04 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | 6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors. J. Med. Chem., 62, 2019
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6MDC
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![BU of 6mdc by Molmil](/molmil-images/mine/6mdc) | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389 | Descriptor: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Fodor, M, Stams, T. | Deposit date: | 2018-09-04 | Release date: | 2019-02-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors. J. Med. Chem., 62, 2019
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5VTA
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![BU of 5vta by Molmil](/molmil-images/mine/5vta) | Co-Crystal Structure of DPPIV with a Chemibody Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide, ... | Authors: | Wang, Z, Johnstone, S, Cheng, A. | Deposit date: | 2017-05-16 | Release date: | 2018-05-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-guided Discovery of Dual-recognition Chemibodies. Sci Rep, 8, 2018
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8IG0
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![BU of 8ig0 by Molmil](/molmil-images/mine/8ig0) | Crystal structure of menin in complex with DS-1594b | Descriptor: | (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ... | Authors: | Suzuki, M, Yoneyama, T, Imai, E. | Deposit date: | 2023-02-20 | Release date: | 2023-03-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1. Cancer Cell Int, 23, 2023
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4HH4
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![BU of 4hh4 by Molmil](/molmil-images/mine/4hh4) | Structure of the CcbJ Methyltransferase from Streptomyces caelestis | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CcbJ, GLYCEROL, ... | Authors: | Bauer, J.A, Ondrovicova, G, Kutejova, E, Janata, J. | Deposit date: | 2012-10-09 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure and possible mechanism of the CcbJ methyltransferase from Streptomyces caelestis. Acta Crystallogr.,Sect.D, 70, 2014
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4HGZ
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![BU of 4hgz by Molmil](/molmil-images/mine/4hgz) | Structure of the CcbJ Methyltransferase from Streptomyces caelestis | Descriptor: | 1,2-ETHANEDIOL, CcbJ, LITHIUM ION, ... | Authors: | Bauer, J.A, Ondrovicova, G, Kutejova, E, Janata, J. | Deposit date: | 2012-10-09 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and possible mechanism of the CcbJ methyltransferase from Streptomyces caelestis. Acta Crystallogr.,Sect.D, 70, 2014
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6MDD
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5NL6
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![BU of 5nl6 by Molmil](/molmil-images/mine/5nl6) | |