4NY4
 
 | | Crystal structure of CYP3A4 in complex with an inhibitor | | Descriptor: | (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Branden, G, Sjogren, T, Xue, Y. | | Deposit date: | 2013-12-10 | | Release date: | 2014-08-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-based ligand design to overcome CYP inhibition in drug discovery projects.
Drug Discov Today, 19, 2014
|
|
5WXR
 | |
6BDM
 | | Crystal structure of human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | | Authors: | Sevrioukova, I. | | Deposit date: | 2017-10-23 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay
Mol. Pharm., 2017
|
|
6EOE
 | | Crystal structure of AMPylated GRP78 with nucleotide | | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, CITRATE ANION, ... | | Authors: | Yan, Y, Preissler, S, Ron, D, Read, R.J. | | Deposit date: | 2017-10-09 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
|
|
6BFD
 | | BACE crystal structure with hydroxy pyrrolidine inhibitor | | Descriptor: | 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide, Beta-secretase 1, GLYCEROL | | Authors: | Timm, D.E. | | Deposit date: | 2017-10-26 | | Release date: | 2017-11-15 | | Last modified: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
|
|
6ELD
 | |
4O0T
 | |
7DT9
 | | D30N HIV Protease in complex with Saquinavir | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease | | Authors: | Bihani, S.C, Hosur, M.V. | | Deposit date: | 2021-01-04 | | Release date: | 2022-01-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | D30N HIV Protease in complex with Saquinavir
To Be Published
|
|
6BFW
 | | BACE crystal structure with hydroxy morpholine inhibitor | | Descriptor: | Beta-secretase 1, GLYCEROL, N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide | | Authors: | Timm, D.E. | | Deposit date: | 2017-10-27 | | Release date: | 2017-11-15 | | Last modified: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
|
|
4O22
 | | Binary complex of metal-free PKAc with SP20. | | Descriptor: | Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha. | | Authors: | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S. | | Deposit date: | 2013-12-16 | | Release date: | 2014-05-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
|
|
5WWG
 | | Crystal structure of hnRNPA2B1 in complex with AAGGACUUGC | | Descriptor: | Heterogeneous nuclear ribonucleoproteins A2/B1, RNA (5'-R(*AP*AP*GP*GP*AP*CP*UP*U)-3') | | Authors: | Wu, B.X, Su, S.C, Ma, J.B. | | Deposit date: | 2017-01-01 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Molecular basis for the specific and multivariant recognitions of RNA substrates by human hnRNP A2/B1.
Nat Commun, 9, 2018
|
|
6ENP
 | | Atomic resolution structure of human RNase 6 in the presence of phosphate anions in P21 space group. | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Ribonuclease K6, ... | | Authors: | Prats-Ejarque, G, Moussaoui, M, Boix, E. | | Deposit date: | 2017-10-05 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.042 Å) | | Cite: | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates.
Biochim Biophys Acta Gen Subj, 1863, 2019
|
|
5WOH
 | |
5WWX
 | | Crystal structure of the KH2 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C complex with RNA | | Descriptor: | NICKEL (II) ION, RNA (5'-R(P*AP*GP*AP*GP*U)-3'), RNA-binding E3 ubiquitin-protein ligase MEX3C | | Authors: | Yang, L, Wang, C, Li, F, Gong, Q. | | Deposit date: | 2017-01-05 | | Release date: | 2017-08-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
|
|
6EOB
 | | Crystal structure of AMPylated GRP78 in apo form (Crystal form 1) | | Descriptor: | 78 kDa glucose-regulated protein, PHOSPHATE ION | | Authors: | Yan, Y, Preissler, S, Ron, D, Read, R.J. | | Deposit date: | 2017-10-09 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
|
|
5WP1
 | | Complex of ERK2 with 5,7-dihydroxychromone | | Descriptor: | 5,7-dihydroxy-4H-1-benzopyran-4-one, BENZOIC ACID, Mitogen-activated protein kinase 1, ... | | Authors: | Kurinov, I, Malakhova, M. | | Deposit date: | 2017-08-03 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Multiple phytochemicals at low doses accumulatively inhibit one key protein in cancers
To Be Published
|
|
4O4T
 | | MURINE NEUROGLOBIN UNDER XENON PRESSURE 30 bar | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Colloc'h, N, Prange, T, Vallone, B. | | Deposit date: | 2013-12-19 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence for Protein-dependent Processes in the Mechanisms of General Anesthesia
Anesthesiology, 121, 2014
|
|
5WPL
 | | KRas G12V, bound to GppNHp and miniprotein 225-11 | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Lee, S.-J, Shim, S.Y, McGee, J.H, Verdine, G.L. | | Deposit date: | 2017-08-05 | | Release date: | 2018-01-03 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
|
|
5WRC
 | | Crystal structure of proteinase K from Engyodontium album | | Descriptor: | NITRATE ION, PRASEODYMIUM ION, Proteinase K | | Authors: | Sugahara, M, Nakane, T, Suzuki, M, Masuda, T, Inoue, S, Numata, K. | | Deposit date: | 2016-12-01 | | Release date: | 2017-11-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Hydroxyethyl cellulose matrix applied to serial crystallography
Sci Rep, 7, 2017
|
|
4NLI
 | | Crystal structure of sheep beta-lactoglobulin (space group P3121) | | Descriptor: | Beta-lactoglobulin-1/B, SULFATE ION | | Authors: | Loch, J.I, Molenda, M, Kopec, M, Swiatek, S, Lewinski, K. | | Deposit date: | 2013-11-14 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of two crystal forms of sheep beta-lactoglobulin with EF-loop in closed conformation
Biopolymers, 101, 2014
|
|
6JB5
 | | Crystal structure of nanobody D3-L11 mutant Y102A in complex with hen egg-white lysozyme (form II) | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K. | | Deposit date: | 2019-01-25 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody.
Sci Rep, 9, 2019
|
|
4NTS
 | |
6E5R
 | |
6AYD
 | |
4NUS
 | | Rsk2 N-terminal kinase in complex with LJH685 | | Descriptor: | 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol, Ribosomal protein S6 kinase alpha-3 | | Authors: | Appleton, B.A. | | Deposit date: | 2013-12-04 | | Release date: | 2014-03-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers.
Mol Cancer Res, 12, 2014
|
|
