8Q76
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8Q73
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4LKO
| Crystal structure of human DPP-IV in complex with BMS-744891 | Descriptor: | 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 | Authors: | Klei, H.E. | Deposit date: | 2013-07-08 | Release date: | 2013-09-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013
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6PM9
| Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719 | Descriptor: | (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain | Authors: | Klein, D.J, Selnick, H.G, Duffy, J.L, McEachern, E.J. | Deposit date: | 2019-07-01 | Release date: | 2019-09-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies. J.Med.Chem., 62, 2019
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5M4E
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5M4P
| Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | Descriptor: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | Authors: | Baker, L.M, Brough, P, Surgenor, A. | Deposit date: | 2016-10-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem., 60, 2017
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3KAY
| Crystal structure of abscisic acid receptor PYL1 | Descriptor: | Putative uncharacterized protein At5g46790 | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E. | Deposit date: | 2009-10-19 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors Nature, 462, 2009
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3KB0
| Crystal structure of abscisic acid-bound PYL2 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At2g26040 | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E. | Deposit date: | 2009-10-19 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors Nature, 462, 2009
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3KAZ
| Crystal structure of abscisic acid receptor PYL2 | Descriptor: | 1,3-BUTANEDIOL, Putative uncharacterized protein At2g26040 | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E. | Deposit date: | 2009-10-19 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors Nature, 462, 2009
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3KB3
| Crystal structure of abscisic acid-bound PYL2 in complex with HAB1 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, MAGNESIUM ION, Protein phosphatase 2C 16, ... | Authors: | Zhou, X.E, Melcher, K, Soon, F.-F, Ng, L.-M, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E. | Deposit date: | 2009-10-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors Nature, 462, 2009
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4XZC
| The crystal structure of Kupe virus nucleoprotein | Descriptor: | Nucleoprotein | Authors: | Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B. | Deposit date: | 2015-02-04 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins. J.Virol., 89, 2015
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4XZE
| The crystal structure of Hazara virus nucleoprotein | Descriptor: | Nucleoprotein | Authors: | Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B. | Deposit date: | 2015-02-04 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins. J.Virol., 89, 2015
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4XZA
| The crystal structure of Erve virus nucleoprotein | Descriptor: | Nucleoprotein | Authors: | Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B. | Deposit date: | 2015-02-04 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins. J.Virol., 89, 2015
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4XZ8
| The crystal structure of Erve virus nucleoprotein | Descriptor: | Nucleoprotein | Authors: | Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B. | Deposit date: | 2015-02-04 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins. J.Virol., 89, 2015
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3S36
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3KMY
| Structure of BACE bound to SCH12472 | Descriptor: | 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine, Beta-secretase 1 | Authors: | Strickland, C, Wang, Y. | Deposit date: | 2009-11-11 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors. J.Med.Chem., 53, 2010
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8QEO
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8QEN
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3KF4
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3KFA
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4MBI
| Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors | Descriptor: | N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine, Serine/threonine-protein kinase pim-1 | Authors: | Azevedo, R, Fischmann, T.O. | Deposit date: | 2013-08-19 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach. Bioorg.Med.Chem.Lett., 23, 2013
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6N05
| Structure of anti-crispr protein, AcrIIC2 | Descriptor: | AcrIIC2 | Authors: | Shah, M, Thavalingham, A, Maxwell, K.L, Moraes, T.F. | Deposit date: | 2018-11-06 | Release date: | 2019-06-05 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2. Nat Commun, 10, 2019
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5XLZ
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7PG9
| human 20S proteasome | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2021-08-13 | Release date: | 2021-10-20 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | The 20S as a stand-alone proteasome in cells can degrade the ubiquitin tag. Nat Commun, 12, 2021
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6F57
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