4W9U
 
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5DHE
 | | Crystal structure of ChBD3 from Thermococcus kodakarensis KOD1 | | Descriptor: | Chitinase, GLYCEROL | | Authors: | Niwa, S, Hibi, M, Takeda, K, Miki, K. | | Deposit date: | 2015-08-30 | | Release date: | 2016-02-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of chitin binding domains of chitinase from Thermococcus kodakarensis KOD1
Febs Lett., 590, 2016
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7RN9
 | | Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO | | Descriptor: | Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | McCue, W, Finzel, B.C. | | Deposit date: | 2021-07-29 | | Release date: | 2022-01-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
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7S62
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4WBE
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7RNF
 | | Crystal structure of caspase-3 with inhibitor Ac-VDKVD-CHO | | Descriptor: | Ac-VDKVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | McCue, W, Finzel, B.C. | | Deposit date: | 2021-07-29 | | Release date: | 2022-01-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
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6YU7
 | | Crystal structure of MhsT in complex with L-tyrosine | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ... | | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | | Deposit date: | 2020-04-25 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
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4V5B
 | | Structure of PDF binding helix in complex with the ribosome. | | Descriptor: | 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Bingel-Erlenmeyer, R, Kohler, R, Kramer, G, Sandikci, A, Antolic, S, Maier, T, Schaffitzel, C, Wiedmann, B, Bukau, B, Ban, N. | | Deposit date: | 2007-11-22 | | Release date: | 2014-07-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.74 Å) | | Cite: | A Peptide Deformylase-Ribosome Complex Reveals Mechanism of Nascent Chain Processing.
Nature, 452, 2008
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7RIL
 | | Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG | | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, ACETATE ION, non-template DNA, ... | | Authors: | Oh, J, Dervan, P.B, Wang, D. | | Deposit date: | 2021-07-20 | | Release date: | 2022-01-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4WBT
 | | Crystal structure of histidinol-phosphate aminotransferase from Sinorhizobium meliloti in complex with pyridoxal-5'-phosphate | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Shabalin, I.G, Bacal, P, Kowalska, A.K, Cooper, D.R, Stead, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-09-03 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of histidinol-phosphate aminotransferase from Sinorhizobium meliloti in complex with pyridoxal-5'-phosphate
to be published
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5DI7
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with an methyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol | | Descriptor: | (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-08-31 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.241 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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4WCL
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7RIM
 | | RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1 | | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Oh, J, Dervan, P.B, Wang, D. | | Deposit date: | 2021-07-20 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7S94
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7RIP
 | | RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1 soaked with CTP | | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Oh, J, Dervan, P.B, Wang, D. | | Deposit date: | 2021-07-20 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4WDQ
 | | Crystal structure of haloalkane dehalogenase LinB32 mutant (L177W) from Sphingobium japonicum UT26 | | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION | | Authors: | Degtjarik, O, Rezacova, P, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I. | | Deposit date: | 2014-09-09 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26
Acs Catalysis, 2016
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7ROJ
 | | Amyloid-related segment of alphaB-crystallin residues 90-100 with G95W mutation | | Descriptor: | Alpha-crystallin B chain peptide, GLYCEROL, SODIUM ION, ... | | Authors: | Sawaya, M.R, Do, T.D, Eisenberg, D.S. | | Deposit date: | 2021-07-30 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic view of an amyloid dodecamer exhibiting selective cellular toxic vulnerability in acute brain slices.
Protein Sci., 31, 2022
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5DHJ
 | | PIM1 in complex with Cpd4 (3-methyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine) | | Descriptor: | 3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | Authors: | Murray, J.M, Wallweber, H. | | Deposit date: | 2015-08-31 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.457 Å) | | Cite: | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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5DHS
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | | Descriptor: | 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ... | | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | | Deposit date: | 2015-08-31 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
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7S56
 | | Sortase A from Streptococcus agalactiae, residues 79-247 | | Descriptor: | Class A sortase | | Authors: | Gao, M, Kodama, H.M, Antos, J.M, Amacher, J.F. | | Deposit date: | 2021-09-09 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.
Protein Sci., 31, 2022
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5XWT
 | | Crystal structure of PTPdelta Ig1-Fn1 in complex with SALM5 LRR-Ig | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S. | | Deposit date: | 2017-06-30 | | Release date: | 2018-06-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (4.178 Å) | | Cite: | Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation.
Nat Commun, 9, 2018
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5DIG
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol | | Descriptor: | (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-01 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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7RTG
 | | Crystal Structure of the Human Adenosine Deaminase 1 | | Descriptor: | Adenosine deaminase, ZINC ION | | Authors: | Ma, M.T, Lieberman, R.L, Blazeck, J, Jennings, M.R. | | Deposit date: | 2021-08-13 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.591 Å) | | Cite: | Catalytically active holo Homo sapiens adenosine deaminase I adopts a closed conformation.
Acta Crystallogr D Struct Biol, 78, 2022
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5DIV
 | | The Fk1 domain of FKBP51 in complex with the new synthetic ligand (S)-N-(1-carbamoylcyclopentyl)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamide | | Descriptor: | (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F. | | Deposit date: | 2015-09-01 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
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7RIQ
 | | RNA polymerase II elongation complex scaffold 1 without polyamide | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Oh, J, Dervan, P.B, Wang, D. | | Deposit date: | 2021-07-20 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
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