1T09
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![BU of 1t09 by Molmil](/molmil-images/mine/1t09) | Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex NADP | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J. | Deposit date: | 2004-04-08 | Release date: | 2004-06-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity J.Biol.Chem., 279, 2004
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1T0L
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![BU of 1t0l by Molmil](/molmil-images/mine/1t0l) | Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP, isocitrate, and calcium(2+) | Descriptor: | CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J. | Deposit date: | 2004-04-10 | Release date: | 2004-06-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity J.Biol.Chem., 279, 2004
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2H07
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2H08
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2HCR
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![BU of 2hcr by Molmil](/molmil-images/mine/2hcr) | crystal structure of human phosphoribosyl pyrophosphate synthetase 1 in complex with AMP(ATP), cadmium and sulfate ion | Descriptor: | ADENOSINE MONOPHOSPHATE, CADMIUM ION, Ribose-phosphate pyrophosphokinase I, ... | Authors: | Li, S, Peng, B, Ding, J. | Deposit date: | 2006-06-18 | Release date: | 2006-10-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human phosphoribosylpyrophosphate synthetase 1 reveals a novel allosteric site Biochem.J., 401, 2007
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2H06
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7X8G
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![BU of 7x8g by Molmil](/molmil-images/mine/7x8g) | |
7X8B
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7X8F
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5LXP
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![BU of 5lxp by Molmil](/molmil-images/mine/5lxp) | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H5 | Descriptor: | Poly [ADP-ribose] polymerase 14, ~{N}'-(3-aminocarbonylphenyl)-~{N}-[[1-[(2~{R})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide | Authors: | Karlberg, T, Thorsell, A.G, Schuler, H. | Deposit date: | 2016-09-22 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Small Molecule Microarray Based Discovery of PARP14 Inhibitors. Angew. Chem. Int. Ed. Engl., 56, 2017
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5LYH
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![BU of 5lyh by Molmil](/molmil-images/mine/5lyh) | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H10 | Descriptor: | 3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Thorsell, A.G, Schuler, H. | Deposit date: | 2016-09-28 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Small Molecule Microarray Based Discovery of PARP14 Inhibitors. Angew. Chem. Int. Ed. Engl., 56, 2017
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6VIO
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8B35
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8B32
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8B3C
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![BU of 8b3c by Molmil](/molmil-images/mine/8b3c) | Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol | Descriptor: | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2 | Authors: | Zhang, L, Groves, M.R. | Deposit date: | 2022-09-16 | Release date: | 2023-09-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids. J.Agric.Food Chem., 72, 2024
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5ECE
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![BU of 5ece by Molmil](/molmil-images/mine/5ece) | Tankyrase 1 with Phthalazinone 1 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | Authors: | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | Deposit date: | 2015-10-20 | Release date: | 2015-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
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3BKY
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![BU of 3bky by Molmil](/molmil-images/mine/3bky) | Crystal Structure of Chimeric Antibody C2H7 Fab in complex with a CD20 Peptide | Descriptor: | B-lymphocyte antigen CD20, the Fab fragment of chimeric 2H7, heavy chain, ... | Authors: | Du, J, Zhong, C, Ding, J. | Deposit date: | 2007-12-07 | Release date: | 2008-04-29 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of chimeric antibody C2H7 Fab in complex with a CD20 peptide Mol.Immunol., 45, 2008
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6ZOQ
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![BU of 6zoq by Molmil](/molmil-images/mine/6zoq) | Oestrogen receptor ligand binding domain in complex with compound 16 | Descriptor: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOS
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![BU of 6zos by Molmil](/molmil-images/mine/6zos) | Oestrogen receptor ligand binding domain in complex with compound 18 | Descriptor: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOR
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![BU of 6zor by Molmil](/molmil-images/mine/6zor) | Oestrogen receptor ligand binding domain in complex with compound 28 | Descriptor: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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2OSL
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![BU of 2osl by Molmil](/molmil-images/mine/2osl) | Crystal structure of Rituximab Fab in complex with an epitope peptide | Descriptor: | B-lymphocyte antigen CD20, heavy chain of the Rituximab Fab fragment,heavy chain of the Rituximab Fab fragment, light chain of the Rituximab Fab fragment,light chain of the Rituximab Fab fragment | Authors: | Du, J, Zhong, C, Ding, J. | Deposit date: | 2007-02-06 | Release date: | 2007-04-10 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for recognition of CD20 by therapeutic antibody Rituximab J.Biol.Chem., 282, 2007
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6FS1
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![BU of 6fs1 by Molmil](/molmil-images/mine/6fs1) | MCL1 in complex with an indole acid ligand | Descriptor: | 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Kasmirski, S, Hargreaves, D. | Deposit date: | 2018-02-18 | Release date: | 2018-12-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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6FS2
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![BU of 6fs2 by Molmil](/molmil-images/mine/6fs2) | MCL1 in complex with indole acid ligand | Descriptor: | 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Hargreaves, D. | Deposit date: | 2018-02-18 | Release date: | 2018-12-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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6FS0
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3IU3
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![BU of 3iu3 by Molmil](/molmil-images/mine/3iu3) | Crystal structure of the Fab fragment of therapeutic antibody Basiliximab in complex with IL-2Ra (CD25) ectodomain | Descriptor: | Heavy chain of Fab fragment of Basiliximab, Interleukin-2 receptor alpha chain, Light chain of Fab fragment of Basiliximab, ... | Authors: | Du, J, Yang, H, Wang, J, Ding, J. | Deposit date: | 2009-08-29 | Release date: | 2010-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for the blockage of IL-2 signaling by therapeutic antibody basiliximab J.Immunol., 184, 2010
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