4MMH
| Crystal structure of heparan sulfate lyase HepC from Pedobacter heparinus | Descriptor: | CALCIUM ION, Heparinase III protein | Authors: | Maruyama, Y, Nakamichi, Y, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2013-09-09 | Release date: | 2014-01-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Pedobacter heparinus Heparin Lyase Hep III with the Active Site in a Deep Cleft Biochemistry, 53, 2014
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1ZVV
| Crystal structure of a ccpa-crh-dna complex | Descriptor: | DNA recognition strand CRE, Glucose-resistance amylase regulator, HPr-like protein crh, ... | Authors: | Schumacher, M.A, Brennan, R.G, Hillen, W, Seidel, G. | Deposit date: | 2005-06-02 | Release date: | 2006-02-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Phosphoprotein Crh-Ser46-P displays altered binding to CcpA to effect carbon catabolite regulation. J.Biol.Chem., 281, 2006
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4MOU
| Crystal Structure of an Enoyl-CoA Hydratase/Isomerase Family Member, NYSGRC target 028282 | Descriptor: | CACODYLATE ION, Enoyl-CoA hydratase/isomerase family protein | Authors: | Chapman, H.C, Cooper, D.R, Geffken, K.T, Cymborowski, M.T, Osinski, T, Stead, M, Hillerich, B, Ahmed, M, Bonanno, J.B, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-09-12 | Release date: | 2013-09-25 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of an Enoyl-CoA Hydratase/Isomerase Family Member, NYSGRC target 028282 To be Published
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4MMI
| Crystal structure of heparan sulfate lyase HepC mutant from Pedobacter heparinus | Descriptor: | CALCIUM ION, Heparinase III protein | Authors: | Maruyama, Y, Nakamichi, Y, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2013-09-09 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Pedobacter heparinus Heparin Lyase Hep III with the Active Site in a Deep Cleft Biochemistry, 53, 2014
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4MPL
| Crystal structure of BMP9 at 1.90 Angstrom | Descriptor: | Growth/differentiation factor 2 | Authors: | Li, W, Morrell, N.W, Wei, Z. | Deposit date: | 2013-09-13 | Release date: | 2014-09-17 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Regulation of Bone Morphogenetic Protein 9 (BMP9) by Redox-dependent Proteolysis. J.Biol.Chem., 289, 2014
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209D
| Structural, physical and biological characteristics of RNA:DNA binding agent N8-actinomycin D | Descriptor: | DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*C)-3'), N8-ACTINOMYCIN D | Authors: | Shinomiya, M, Chu, W, Carlson, R.G, Weaver, R.F, Takusagawa, F. | Deposit date: | 1995-05-01 | Release date: | 1995-10-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural, Physical, and Biological Characteristics of RNA.DNA Binding Agent N8-Actinomycin D. Biochemistry, 34, 1995
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5BKF
| Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, Glycine bound, desensitized state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alpha-2, ... | Authors: | Yu, H, Wang, W. | Deposit date: | 2021-03-19 | Release date: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Characterization of the subunit composition and structure of adult human glycine receptors Neuron, 109, 2021
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5BKG
| Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, glycine bound, (semi)open state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alpha-2, ... | Authors: | Yu, H, Wang, W. | Deposit date: | 2021-03-19 | Release date: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Characterization of the subunit composition and structure of adult human glycine receptors Neuron, 109, 2021
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5ANQ
| inhibitors of JumonjiC domain-containing histone demethylases | Descriptor: | 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid, CHLORIDE ION, FE (II) ION, ... | Authors: | Roatsch, M, Robaa, D, Pippel, M, Nettleship, J.E, Reddivari, Y, Bird, L.E, Hoffmann, I, Franz, H, Owens, R.J, Schuele, R, Flaig, R, Sippl, W, Jung, M. | Deposit date: | 2015-09-07 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substituted 2-(2-Aminopyrimidin-4-Yl)Pyridine-4-Carboxylates as Potent Inhibitors of Jumonjic Domain-Containing Histone Demethylases. Fut.Med.Chem., 8, 2016
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5C3S
| Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and 5-formyluracil (5fU) | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde, 2-OXOGLUTARIC ACID, ... | Authors: | Li, W, Zhang, T, Ding, J. | Deposit date: | 2015-06-17 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi Nucleic Acids Res., 43, 2015
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5C5I
| Crystal structure of NADP-dependent dehydrogenase from Rhodobacter sphaeroides | Descriptor: | NADP-dependent dehydrogenase | Authors: | Kowiel, M, Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Porebski, P.J, Cymborowski, M, Al Obaidi, N.F, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-06-19 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of NADP-dependent dehydrogenase from Rhodobacter sphaeroides to be published
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5C5S
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5C8G
| Crystal Structure Analysis of PP-BRD20 from Tb427tmp complexed with BI-2536 | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, PP-BRD20, UNKNOWN ATOM OR ION | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Hou, C.F.D, El Bakkouri, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amain, M, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-25 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure Analysis of PP-BRD20 from Tb427tmp to be published
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7AIF
| HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR WITH BOUND MANGANESE | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ... | Authors: | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | Deposit date: | 2020-09-27 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues. J.Med.Chem., 64, 2021
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7AXK
| Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, GLYCEROL, ... | Authors: | Huet, T, Delfosse, V, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7AID
| HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR | Descriptor: | D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | Authors: | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | Deposit date: | 2020-09-26 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues. J.Med.Chem., 64, 2021
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7AXI
| Crystal structure of the hPXR-LBD in complex with estradiol and cis-chlordane | Descriptor: | (+)cis-chlordane, (-)cis-chlordane, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Huet, T, Delfosse, V, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7ATU
| The LIMK1 Kinase Domain Bound To LIJTF500025 | Descriptor: | (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide, LIM domain kinase 1 | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | Deposit date: | 2020-10-30 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The LIMK1 Kinase Domain Bound To LIJTF500025 To Be Published
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7AXA
| Crystal structure of the hPXR-LBD in complex with clotrimazole | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Nuclear receptor subfamily 1 group I member 2 | Authors: | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXF
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7AVX
| MerTK kinase domain in complex with NPS-1034 | Descriptor: | 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AVY
| MerTK kinase domain in complex with quinazoline-based inhbitor | Descriptor: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW2
| MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library | Descriptor: | 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW4
| MerTK kinase domain with type 3 inhibitor from a DNA-encoded library | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide, CHLORIDE ION, ... | Authors: | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW0
| MerTK kinase domain in complex with purine inhibitor | Descriptor: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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