5RPW
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo63 | Descriptor: | Proteinase K | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
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5RP6
| PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C2a | Descriptor: | 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
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5ROR
| PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F1a | Descriptor: | NICOTINAMIDE, Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
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5RP5
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo48 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
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5ROS
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo34 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
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5RP4
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo70 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
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5RPG
| PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H2a | Descriptor: | Proteinase K, SULFATE ION, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
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7D43
| eIF2B-eIF2(aP), aPg complex | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ... | Authors: | Kashiwagi, K, Ito, T. | Deposit date: | 2020-09-22 | Release date: | 2020-12-09 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B. Mol.Cell, 81, 2021
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7K7J
| EphB6 receptor ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 6 | Authors: | Goldgur, Y, Himanen, J. | Deposit date: | 2020-09-22 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | Structure of the EphB6 receptor ectodomain. Plos One, 16, 2021
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7AGG
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7AGF
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7AGB
| Protease Sapp1p from Candida parapsilosis in complex with KB70 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Candidapepsin, ... | Authors: | Dostal, J, Heidingsfeld, O, Brynda, J. | Deposit date: | 2020-09-22 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis . J Enzyme Inhib Med Chem, 36, 2021
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7AGE
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7AGD
| Protease Sapp1p from Candida parapsilosis in complex with KB75 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Candidapepsin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dostal, J, Heidingsfeld, O, Brynda, J. | Deposit date: | 2020-09-22 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis . J Enzyme Inhib Med Chem, 36, 2021
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7AGC
| Protease Sapp1p from Candida parapsilosis in complex with KB74 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Candidapepsin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dostal, J, Heidingsfeld, O, Brynda, J. | Deposit date: | 2020-09-22 | Release date: | 2021-04-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis . J Enzyme Inhib Med Chem, 36, 2021
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7AG0
| Complex between the bone morphogenetic protein 2 and its antagonist Noggin | Descriptor: | Bone morphogenetic protein 2, GLYCEROL, Noggin | Authors: | Robert, C, Bruck, F, Herman, R, Vandevenne, M, Filee, P, Kerff, F, Matagne, A. | Deposit date: | 2020-09-21 | Release date: | 2022-04-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.104 Å) | Cite: | Structural analysis of the interaction between human cytokine BMP-2 and the antagonist Noggin reveals molecular details of cell chondrogenesis inhibition. J.Biol.Chem., 299, 2023
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7D3S
| Human SECR in complex with an engineered Gs heterotrimer | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Fukuhara, S, Kobayashi, K, Kusakizako, T, Shihoya, W, Nureki, O. | Deposit date: | 2020-09-20 | Release date: | 2020-11-04 | Last modified: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of the human secretin receptor coupled to an engineered heterotrimeric G protein. Biochem.Biophys.Res.Commun., 533, 2020
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7D3R
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7D3E
| Cryo-EM structure of human DUOX1-DUOXA1 in low-calcium state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dual oxidase 1, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Chen, L, Wu, J.X. | Deposit date: | 2020-09-19 | Release date: | 2020-12-09 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of human dual oxidase 1 complex in low-calcium and high-calcium states. Nat Commun, 12, 2021
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7D3F
| Cryo-EM structure of human DUOX1-DUOXA1 in high-calcium state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dual oxidase 1, ... | Authors: | Chen, L, Wu, J.X. | Deposit date: | 2020-09-19 | Release date: | 2020-12-09 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structures of human dual oxidase 1 complex in low-calcium and high-calcium states. Nat Commun, 12, 2021
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7D3M
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7D3K
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7D3L
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7D36
| Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Nakahara, K, Mitsuoka, Y, Kasuya, S, Yamamoto, T, Yamamoto, S, Ito, H, Kido, Y, Kusakabe, K.I. | Deposit date: | 2020-09-18 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction. Eur.J.Med.Chem., 216, 2021
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7AEU
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