5HTE
| Recombinant bovine beta-lactoglobulin variant L1A/I2S (sBlgB#2) | Descriptor: | Beta-lactoglobulin | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K. | Deposit date: | 2016-01-26 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation. Mol Biotechnol., 58, 2016
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7ZHN
| Crystal structure of TTBK1 in complex with AMG28 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
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5HTZ
| BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide | Descriptor: | (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1 | Authors: | Orth, P. | Deposit date: | 2016-01-27 | Release date: | 2016-11-09 | Last modified: | 2017-01-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease. J. Med. Chem., 59, 2016
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5HT9
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7ZGL
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7ZHQ
| Crystal structure of TTBK1 in complex with compound 10 (7-009) | Descriptor: | (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
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7ZHO
| Crystal structure of TTBK1 in complex with compound 3 (7-001) | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
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5HUM
| The crystal structure of neuraminidase from A/Sichuan/26221/2014 influenza virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, neuraminidase | Authors: | Yang, H, Carney, P.J, Guo, Z, Chang, J.C, Stevens, J. | Deposit date: | 2016-01-27 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular Characterizations of Surface Proteins Hemagglutinin and Neuraminidase from Recent H5Nx Avian Influenza Viruses. J.Virol., 90, 2016
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7ZHP
| Crystal structure of TTBK1 in complex with compound 9 (7-005) | Descriptor: | 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
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5HVP
| CRYSTALLOGRAPHIC ANALYSIS OF A COMPLEX BETWEEN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AND ACETYL-PEPSTATIN AT 2.0-ANGSTROMS RESOLUTION | Descriptor: | ACETYL-*PEPSTATIN, CHLORIDE ION, HIV-1 PROTEASE | Authors: | Fitzgerald, P.M.D, Mckeever, B.M, Vanmiddlesworth, J.F, Springer, J.P. | Deposit date: | 1990-04-30 | Release date: | 1991-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic analysis of a complex between human immunodeficiency virus type 1 protease and acetyl-pepstatin at 2.0-A resolution. J.Biol.Chem., 265, 1990
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7BYO
| Lysozyme structure SS1 from SS mode | Descriptor: | Lysozyme C | Authors: | Kang, H.S, Lee, S.J. | Deposit date: | 2020-04-24 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range Nat Photonics, 2021
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5HZ6
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4U7Q
| Structure of wild-type HIV protease in complex with photosensitive inhibitor PDI-6 | Descriptor: | N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease | Authors: | Pachl, P, Rezacova, P, Schimer, J. | Deposit date: | 2014-07-31 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor. Nat Commun, 6, 2015
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4U7V
| Structure of wild-type HIV protease in complex with degraded photosensitive inhibitor | Descriptor: | BETA-MERCAPTOETHANOL, N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease | Authors: | Pachl, P, Rezacova, P, Schimer, J. | Deposit date: | 2014-07-31 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor. Nat Commun, 6, 2015
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6HY8
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7BYP
| Lysozyme structure SASE1 from SASE mode | Descriptor: | Lysozyme C | Authors: | Kang, H.S, Lee, S.J. | Deposit date: | 2020-04-24 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range Nat Photonics, 2021
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5HMJ
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6HYF
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4UAL
| MRCK beta in complex with BDP00005290 | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2014-08-10 | Release date: | 2014-10-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A novel small-molecule MRCK inhibitor blocks cancer cell invasion. Cell Commun. Signal, 12, 2014
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8BD0
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4U8Z
| Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) | Descriptor: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-05 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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4UBS
| The crystal structure of cytochrome P450 105D7 from Streptomyces avermitilis in complex with Diclofenac | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Xu, L.H, Ikeda, H, Arakawa, T, Wakagi, T, Shoun, H, Fushinobu, S. | Deposit date: | 2014-08-13 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the 4'-hydroxylation of diclofenac by a microbial cytochrome P450 monooxygenase. Appl.Microbiol.Biotechnol., 99, 2015
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4UB7
| High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond | Descriptor: | 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G. | Deposit date: | 2014-08-12 | Release date: | 2015-07-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures. Acs Chem.Biol., 10, 2015
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6WAX
| C-terminal SH2 domain of p120RasGAP | Descriptor: | 1,2-ETHANEDIOL, Ras GTPase-activating protein 1, SULFATE ION | Authors: | Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J. | Deposit date: | 2020-03-26 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The GTPase-activating protein p120RasGAP has an evolutionarily conserved "FLVR-unique" SH2 domain. J.Biol.Chem., 295, 2020
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7BU4
| Crystal structure of CK2a1 complexed with KY49 | Descriptor: | 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid, Casein Kinase 2 subunit alpha | Authors: | Tsuyuguchi, M, Kinoshita, T. | Deposit date: | 2020-04-04 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.70227313 Å) | Cite: | Design, synthesis and SAR studies of protein kinase CK2 inhibitors with a purine scaffold To Be Published
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