1MCF
| PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | Descriptor: | Immunoglobulin lambda-1 light chain, PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-B-ALA-OH | Authors: | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | Deposit date: | 1993-02-25 | Release date: | 1994-01-31 | Last modified: | 2022-04-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
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4AHC
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1W5C
| Photosystem II from Thermosynechococcus elongatus | Descriptor: | 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, BETA-CAROTENE, CHLOROPHYLL A, ... | Authors: | Biesiadka, J, Loll, B, Kern, J, Irrgang, K.-D, Saenger, W. | Deposit date: | 2004-08-06 | Release date: | 2004-12-21 | Last modified: | 2014-01-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of Cyanobacterial Photosystem II at 3.2 A Resolution: A Closer Look at the Mn- Cluster Phys.Chem.Chem.Phys., 6, 2004
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5W5K
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70 | Descriptor: | 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ... | Authors: | Porter, N.J, Christianson, D.W. | Deposit date: | 2017-06-15 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors. J.Med.Chem., 62, 2019
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5VVV
| Structural Investigations of the Substrate Specificity of Human O-GlcNAcase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-GlcNAcase, a-crystallin B | Authors: | Li, B, Jiang, J, Li, H, Hu, C.-W. | Deposit date: | 2017-05-20 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase. Nat Commun, 8, 2017
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7NL0
| Cryo-EM structure of the Lin28B nucleosome core particle | Descriptor: | DNA (131-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Roberts, G.A, Ozkan, B, Gachulincova, I, O Dwyer, M.R, Hall-Ponsele, E, Saxena, M, Robinson, P.J, Soufi, A. | Deposit date: | 2021-02-19 | Release date: | 2021-08-11 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Dissecting OCT4 defines the role of nucleosome binding in pluripotency. Nat.Cell Biol., 23, 2021
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1G05
| HETEROCYCLE-BASED MMP INHIBITOR WITH P2'SUBSTITUENTS | Descriptor: | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, STROMELYSIN-1 PRECURSOR, ... | Authors: | Pikul, S, Dunham, K.M, Almstead, N.G, De, B, Natchus, M.G, Taiwo, Y.O, Williams, L.E, Hynd, B.A, Hsieh, L.C, Janusz, M.J. | Deposit date: | 2000-10-05 | Release date: | 2001-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Heterocycle-based MMP inhibitors with P2' substituents. Bioorg.Med.Chem.Lett., 11, 2001
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2AXT
| Crystal Structure of Photosystem II from Thermosynechococcus elongatus | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Loll, B, Kern, J, Saenger, W, Zouni, A, Biesiadka, J. | Deposit date: | 2005-09-06 | Release date: | 2005-12-27 | Last modified: | 2017-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Towards complete cofactor arrangement in the 3.0 A resolution structure of photosystem II NATURE, 438, 2005
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4ZA8
| Crystal structure of A niger Fdc1 in complex with penta-fluorocinnamic acid | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, MANGANESE (II) ION, ... | Authors: | Payne, K.A.P, Leys, D. | Deposit date: | 2015-04-13 | Release date: | 2015-06-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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6TOG
| Crystal structure of human BCL6 BTB domain in complex with compound 5 | Descriptor: | 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... | Authors: | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2019-12-11 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
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5VJO
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6M4D
| Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2 | Descriptor: | DNA (125-MER), Histone H2A.V, Histone H2B type 2-E, ... | Authors: | Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q. | Deposit date: | 2020-03-06 | Release date: | 2020-09-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2. Embo J., 40, 2021
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4ZAB
| Structure of A. niger Fdc1 in complex with alpha-fluoro cinnamic acid | Descriptor: | (2Z)-2-fluoro-3-phenylprop-2-enoic acid, 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, ... | Authors: | Payne, K.A.P, Leys, D. | Deposit date: | 2015-04-13 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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2VAL
| Crystal structure of an Escherichia coli tRNAGly microhelix at 2.0 Angstrom resolution | Descriptor: | 5'-R(*GP*CP*GP*GP*GP*AP*AP)-3', 5'-R(*UP*UP*CP*CP*CP*GP*CP)-3', MAGNESIUM ION | Authors: | Forster, C, Brauer, A.B.E, Perbandt, M, Lehmann, D, Furste, J.P, Betzel, C, Erdmann, V.A. | Deposit date: | 2007-09-03 | Release date: | 2007-10-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of an Escherichia Coli Trnagly Microhelix at 2.0 Angstrom Resolution Biochem.Biophys.Res.Commun., 363, 2007
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5SZO
| Protocadherin Gamma B7 extracellular cadherin domains 1-4 P41212 crystal form | Descriptor: | CALCIUM ION, Protocadherin Gamma B7, alpha-D-mannopyranose, ... | Authors: | Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L. | Deposit date: | 2016-08-14 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.612 Å) | Cite: | gamma-Protocadherin structural diversity and functional implications. Elife, 5, 2016
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4R7H
| Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397 | Descriptor: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor | Authors: | Zhang, Y, Zhang, K, Zhang, C. | Deposit date: | 2014-08-27 | Release date: | 2015-08-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8001 Å) | Cite: | Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor. N Engl J Med, 373, 2015
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6C8X
| Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | Deposit date: | 2018-01-25 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.613 Å) | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid. J. Am. Chem. Soc., 140, 2018
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1UR8
| Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ... | Authors: | Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2003-10-27 | Release date: | 2004-04-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone. J.Biol.Chem., 279, 2004
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3ZV5
| CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB) FROM PANDORAEA PNOMENUSA STRAIN B-356 COMPLEX WITH CO-ENZYME NAD AND PRODUCT 2,3-DIHYDROXYBIPHENYL | Descriptor: | BIPHENYL-2,3-DIOL, CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Dhindwal, S, Patil, D.N, Kumar, P. | Deposit date: | 2011-07-23 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme. J.Biol.Chem., 286, 2011
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3ZV6
| CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB) FROM PANDORAEA PNOMENUSA STRAIN B-356 COMPLEX WITH CO-ENZYME NAD AND PRODUCT ANALOG 4,4'-DIHYDROXYBIPHENYL | Descriptor: | 4,4'-DIHYDROXYBIPHENYL, CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Dhindwal, S, Patil, D.N, Kumar, P. | Deposit date: | 2011-07-23 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme. J.Biol.Chem., 286, 2011
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1UR9
| Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ... | Authors: | Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2003-10-27 | Release date: | 2004-04-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone. J.Biol.Chem., 279, 2004
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6VBO
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3BNA
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6C8Y
| D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | Deposit date: | 2018-01-25 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.942 Å) | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid. J. Am. Chem. Soc., 140, 2018
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7ZXS
| Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295 | Descriptor: | 1,2-ETHANEDIOL, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ross, B, Huber, R. | Deposit date: | 2022-05-22 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 61, 2022
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