8W02
 
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9F4E
 | | UP1 in complex with Z1152242726 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-27 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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7KOT
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9HVP
 | | Design, activity and 2.8 Angstroms crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease | | Descriptor: | HIV-1 Protease, benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate | | Authors: | Neidhart, D.J, Erickson, J. | | Deposit date: | 1990-11-06 | | Release date: | 1992-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease.
Science, 249, 1990
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9F5C
 | | UP1 in complex with Z198195770 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-[3-(carbamoylamino)phenyl]acetamide | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9FVO
 | | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ... | | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | | Deposit date: | 2024-06-27 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
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9F4W
 | | UP1 in complex with Z54508609 | | Descriptor: | 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9B3R
 | | The structure of human cardiac F-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | | Authors: | Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A. | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of human cardiac actin
To Be Published
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9B3S
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9BKG
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4KV5
 | | scFv GC1009 in complex with TGF-beta1. | | Descriptor: | Single-chain variable fragment GC1009, Transforming growth factor beta-1 proprotein | | Authors: | Wei, R, Moulin, A.G, Mathieu, M. | | Deposit date: | 2013-05-22 | | Release date: | 2014-09-24 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of a pan-specific antagonist antibody complexed to different isoforms of TGF beta reveal structural plasticity of antibody-antigen interactions.
Protein Sci., 23, 2014
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9F5G
 | | UP1 in complex with EN300-115958 | | Descriptor: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9F5E
 | | UP1 in complex with Z30820160 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methyl-1,3-thiazol-2-yl)propanamide | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8YHW
 | | The Crystal Structure of NF-kB-inducing Kinase (NIK) from Biortus | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, MAGNESIUM ION, ... | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | | Deposit date: | 2024-02-28 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Crystal Structure of NF-kB-inducing Kinase (NIK) from Biortus
To Be Published
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9PAI
 | | CLEAVED SUBSTRATE VARIANT OF PLASMINOGEN ACTIVATOR INHIBITOR-1 | | Descriptor: | PROTEIN (PLASMINOGEN ACTIVATOR INHIBITOR-1) residues 19-364, PROTEIN (PLASMINOGEN ACTIVATOR INHIBITOR-1) residues 365-397 | | Authors: | Aertgeerts, K, De Bondt, H.L, De Ranter, C.J, Declerck, P.J. | | Deposit date: | 1999-03-11 | | Release date: | 1999-03-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanisms contributing to the conformational and functional flexibility of plasminogen activator inhibitor-1.
Nat.Struct.Biol., 2, 1995
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9F5F
 | | UP1 in complex with Z992569480 | | Descriptor: | (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8VMG
 | | Crystal structure of GSK-3 26-383 bound to Axin 383-435 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I. | | Deposit date: | 2024-01-13 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta.
Sci.Signal., 17, 2024
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9F4D
 | | UP1 in complex with Z1203107138 | | Descriptor: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-27 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9F4N
 | | UP1 in complex with Z137811222 | | Descriptor: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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4L1A
 | | Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance | | Descriptor: | MDR769 HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE | | Authors: | Liu, Z, Yedidi, R.S, Wang, Y, Dewdney, T, Reiter, S, Brunzelle, J, Kovari, I, Kovari, L. | | Deposit date: | 2013-06-03 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic study of multi-drug resistant HIV-1 protease lopinavir complex: mechanism of drug recognition and resistance.
Biochem.Biophys.Res.Commun., 437, 2013
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8W00
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9PTI
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7KL1
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... | | Authors: | Ozden, C, Stratton, M.M, Garman, S.C. | | Deposit date: | 2020-10-28 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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9F4J
 | | UP1 in complex with Z416341642 | | Descriptor: | (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9F4L
 | | UP1 in complex with Z104584152 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N,N-dimethyl-N~2~-phenylglycinamide | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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