5JYM
 
 | | Human P-cadherin EC12 with scFv TSP11 bound | | Descriptor: | Antibody scFv TSP11, CALCIUM ION, Cadherin-3 | | Authors: | Caaveiro, J.M.M, Kudo, S, Tsumoto, K. | | Deposit date: | 2016-05-14 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Disruption of cell adhesion by an antibody targeting the cell-adhesive intermediate (X-dimer) of human P-cadherin
Sci Rep, 7, 2017
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6KFW
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7MK8
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5JZN
 | | Crystal structure of DCLK1-KD in complex with NVP-TAE684 | | Descriptor: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, SULFATE ION, Serine/threonine-protein kinase DCLK1 | | Authors: | Patel, O, Lucet, I. | | Deposit date: | 2016-05-17 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Biochemical and Structural Insights into Doublecortin-like Kinase Domain 1.
Structure, 24, 2016
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6A1C
 | | Crystal structure of the CK2a1-go289 complex | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol, Casein kinase II subunit alpha, ... | | Authors: | Kinoshita, T, Tsuyuguchi, M. | | Deposit date: | 2018-06-07 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Cell-based screen identifies a new potent and highly selective CK2 inhibitor for modulation of circadian rhythms and cancer cell growth.
Sci Adv, 5, 2019
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7TZK
 | | EPS8 SH3 Domain with NleH1 PxxDY Motif | | Descriptor: | Epidermal growth factor receptor kinase substrate 8, T3SS secreted effector NleH homolog | | Authors: | Grishin, A.M, Cygler, M. | | Deposit date: | 2022-02-15 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Targeting of microvillus protein Eps8 by the NleH effector kinases from enteropathogenic E. coli
Proc.Natl.Acad.Sci.USA, 119, 2022
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5K1L
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6A7I
 | | CYP154C4 from Streptomyces sp. W2061 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lee, C.W, Lee, J.H. | | Deposit date: | 2018-07-03 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Characterization of two steroid hydroxylases from different Streptomyces spp. and their ligand-bound and -unbound crystal structures.
Febs J., 286, 2019
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6KC4
 | | Crystal structure of human Fer SH2 domain bound to a phosphopeptide (DEpYENVD) | | Descriptor: | Tyrosine-protein kinase Fer, phosphopeptide (EDpYENVD) | | Authors: | Matsuura, Y. | | Deposit date: | 2019-06-27 | | Release date: | 2019-09-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | High-resolution structural analysis shows how different crystallographic environments can induce alternative modes of binding of a phosphotyrosine peptide to the SH2 domain of Fer tyrosine kinase.
Protein Sci., 28, 2019
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8DZ7
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7U8H
 | | Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2022-03-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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621P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | Descriptor: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | | Deposit date: | 1991-06-06 | | Release date: | 1994-01-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
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6A10
 | | Crystal structure of hen egg white lysozyme crystallized by ammonium sulfate | | Descriptor: | Lysozyme C, SULFATE ION | | Authors: | Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T. | | Deposit date: | 2018-06-06 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization
Cryst.Growth Des., 19, 2019
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8JAH
 | | Crystal structure of human CLEC12A C-type lectin domain | | Descriptor: | C-type lectin domain family 12 member A, POTASSIUM ION, SULFATE ION | | Authors: | Lei, Q, Tang, H, Dong, X. | | Deposit date: | 2023-05-06 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Mechanistic insights into the C-type lectin receptor CLEC12A-mediated immune recognition of monosodium urate crystal.
J.Biol.Chem., 300, 2024
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7M8V
 | | Human CYP11B2 in complex with LCI699 | | Descriptor: | 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile, Cytochrome P450 11B2, mitochondrial, ... | | Authors: | Scott, E.E, Brixius-Anderko, S. | | Deposit date: | 2021-03-30 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Aldosterone Synthase Structure With Cushing Disease Drug LCI699 Highlights Avenues for Selective CYP11B Drug Design.
Hypertension, 78, 2021
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6KHA
 | | Solution structure of bovine insulin amyloid intermediate-2 | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Ratha, B.N, Kar, R.K, Brender, J.B, Bhunia, A. | | Deposit date: | 2019-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2020-11-18 | | Method: | SOLUTION NMR | | Cite: | High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
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8IYX
 | | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | | Descriptor: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 | | Authors: | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7MCK
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18 | | Descriptor: | N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R. | | Deposit date: | 2021-04-02 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Rsc Med Chem, 12, 2021
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8E52
 | | MicroED structure of proteinase K recorded on K2 | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T. | | Deposit date: | 2022-08-19 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-19 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.8 Å) | | Cite: | Electron-counting MicroED data with the K2 and K3 direct electron detectors.
J.Struct.Biol., 214, 2022
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5K5L
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7U5B
 | | Structure of Human KLK5 bound to anti-KLK5 Fab | | Descriptor: | Kallikrein-5, SULFATE ION, anti-KLK5 Fab Heavy Chain, ... | | Authors: | Yin, J, Sudhamsu, J. | | Deposit date: | 2022-03-02 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.371 Å) | | Cite: | Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis.
Sci Transl Med, 14, 2022
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6AGN
 | | Structure of HEWL co-crystallised with Cinnamaldehyde | | Descriptor: | (2E)-3-phenylprop-2-enal, (2Z)-3-phenylprop-2-enal, 1,2-ETHANEDIOL, ... | | Authors: | Seyedarabi, A, Seraj, Z. | | Deposit date: | 2018-08-13 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | The role of Cinnamaldehyde and Phenyl ethyl alcohol as two types of precipitants affecting protein hydration levels.
Int.J.Biol.Macromol., 146, 2019
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5K7K
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5K7R
 | | MicroED structure of trypsin at 1.7 A resolution | | Descriptor: | CALCIUM ION, Cationic trypsin | | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | | Deposit date: | 2016-05-26 | | Release date: | 2017-04-05 | | Last modified: | 2018-08-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.7 Å) | | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
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8E53
 | | MicroED structure of proteinase K recorded on K3 | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Nannenga, B.L, Gonen, T. | | Deposit date: | 2022-08-19 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-19 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.7 Å) | | Cite: | Electron-counting MicroED data with the K2 and K3 direct electron detectors.
J.Struct.Biol., 214, 2022
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