6AZW
 
 | | IDO1/FXB-001116 crystal structure | | Descriptor: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lewis, H.A, Lammens, A, Steinbacher, S. | | Deposit date: | 2017-09-13 | | Release date: | 2018-03-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3WRO
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3WRN
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7Y8Y
 | | Structure of Cas7-11-crRNA-tgRNA in complex with TPR-CHAT | | Descriptor: | CHAT domain protein, RAMP superfamily protein, RNA (37-MER), ... | | Authors: | Wang, S, Guo, M, Zhu, Y, Huang, Z. | | Deposit date: | 2022-06-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structure of the type III-E CRISPR-Cas effector gRAMP in complex with TPR-CHAT.
Cell Res., 32, 2022
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4RE1
 | | Crystal structure of human TEAD1 and disulfide-engineered YAP | | Descriptor: | CHLORIDE ION, Transcriptional enhancer factor TEF-1, Yorkie homolog | | Authors: | Xu, Z, Zhou, Z. | | Deposit date: | 2014-09-21 | | Release date: | 2014-11-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting Hippo pathway by specific interruption of YAP-TEAD interaction using cyclic YAP-like peptides.
Faseb J., 29, 2015
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1DSS
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8T51
 | | Crystal structure of Fab 3.10C2 bound to TREM2 | | Descriptor: | 3.10C2 Fab heavy chain, 3.10C2 Fab light chain, ACETATE ION, ... | | Authors: | Hsu, P.L, Wallweber, H. | | Deposit date: | 2023-06-12 | | Release date: | 2024-06-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining.
Nat Commun, 15, 2024
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8T59
 | | Crystal structure of Para.09 bound to TREM2 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Para.09 heavy chain, ... | | Authors: | Wallweber, H, Hsu, P.L. | | Deposit date: | 2023-06-12 | | Release date: | 2024-07-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining.
Nat Commun, 15, 2024
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8TLR
 | | Crystal Structure of human HRAS G12C covalently bound to AMG 510 | | Descriptor: | AMG 510 (bound form), GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Morstein, J, Guiley, K.Z, Shokat, K.M. | | Deposit date: | 2023-07-27 | | Release date: | 2024-07-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.70003951 Å) | | Cite: | Targeting Ras-, Rho-, and Rab-family GTPases via a conserved cryptic pocket.
Cell, 187, 2024
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4RFM
 | | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | | Descriptor: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | | Deposit date: | 2014-09-26 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo.
J.Med.Chem., 58, 2015
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4EI4
 | | JAK1 kinase (JH1 domain) in complex with compound 20 | | Descriptor: | (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1 | | Authors: | Eigenbrot, C, Steffek, M. | | Deposit date: | 2012-04-04 | | Release date: | 2012-07-04 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
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4F08
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4F09
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2PKG
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2M5E
 | | Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2 | | Descriptor: | CALCIUM ION, Calmodulin, Sodium channel protein type 2 subunit alpha | | Authors: | Fowler, C.A, Feldkamp, M.D, Yu, L, Shea, M.A. | | Deposit date: | 2013-02-21 | | Release date: | 2014-07-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Calcium triggers reversal of calmodulin on nested anti-parallel sites in the IQ motif of the neuronal voltage-dependent sodium channel NaV1.2.
Biophys. Chem., 224, 2017
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7SSM
 | | Crystal structure of human STING R232 in complex with compound 11 | | Descriptor: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein | | Authors: | Sack, J.S, Critton, D.A. | | Deposit date: | 2021-11-11 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
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7WN7
 | | Crystal structure of HearNPV P26 | | Descriptor: | CHLORIDE ION, SULFATE ION, p26 | | Authors: | Kuang, W, Hu, Z, Gong, P. | | Deposit date: | 2022-01-17 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dual roles and evolutionary implications of P26/poxin in antagonizing intracellular cGAS-STING and extracellular melanization immunity.
Nat Commun, 13, 2022
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4EHZ
 | | The Jak1 kinase domain in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Steffek, M. | | Deposit date: | 2012-04-04 | | Release date: | 2012-07-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
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3RT0
 | | Crystal structure of PYL10-HAB1 complex in the absence of abscisic acid (ABA) | | Descriptor: | Abscisic acid receptor PYL10, MAGNESIUM ION, Protein phosphatase 2C 16 | | Authors: | Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N. | | Deposit date: | 2011-05-02 | | Release date: | 2011-06-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.113 Å) | | Cite: | The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
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3RT2
 | | Crystal structure of apo-PYL10 | | Descriptor: | Abscisic acid receptor PYL10 | | Authors: | Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N. | | Deposit date: | 2011-05-02 | | Release date: | 2011-06-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
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2HV6
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2HV7
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7XSC
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7CGS
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8YXT
 | | Crystal structure of PtmB | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PtmB | | Authors: | Zhang, Z.Y, Qu, X.D, Duan, B.R, Wei, G.Z. | | Deposit date: | 2024-04-02 | | Release date: | 2024-11-20 | | Last modified: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A nucleobase-driven P450 peroxidase system enables regio- and stereo-specific formation of C─C and C─N bonds.
Proc.Natl.Acad.Sci.USA, 121, 2024
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