7CU5
 
 | | N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Programmed cell death protein 1, ... | | 著者 | Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F. | | 登録日 | 2020-08-21 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | N-glycosylation of PD-1 promotes binding of camrelizumab.
Embo Rep., 21, 2020
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6LRS
 | | Cryo-EM structure of RbcL8-RbcS4 from Anabaena sp. PCC 7120 | | 分子名称: | Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain | | 著者 | Xia, L.Y, Jiang, Y.L, Kong, W.W, Sun, H, Li, W.F, Chen, Y, Zhou, C.Z. | | 登録日 | 2020-01-16 | | 公開日 | 2020-07-15 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | Molecular basis for the assembly of RuBisCO assisted by the chaperone Raf1.
Nat.Plants, 6, 2020
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8HTU
 | | Cryo-EM structure of PpPSI-L | | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | 著者 | Li, M, Pan, X.W, Sun, H.Y. | | 登録日 | 2022-12-21 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (2.87 Å) | | 主引用文献 | Structural insights into the assembly and energy transfer of the Lhcb9-dependent photosystem I from moss Physcomitrium patens.
Nat.Plants, 9, 2023
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5B6I
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2JK7
 | | XIAP BIR3 bound to a Smac Mimetic | | 分子名称: | (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE, BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, ZINC ION | | 著者 | Saito, N.G, Meagher, J.L, Stuckey, J.A. | | 登録日 | 2008-08-21 | | 公開日 | 2008-11-04 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (Xiap).
J.Med.Chem., 51, 2008
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8JUB
 | | Crystal structure of glutaminase C in complex with compound 27 | | 分子名称: | 3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid, Glutaminase kidney isoform, mitochondrial | | 著者 | Wang, X, Hanyu, S, Tingting, D. | | 登録日 | 2023-06-26 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8JUE
 | | Crystal structure of glutaminase C in complex with compound 11 | | 分子名称: | 2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | | 著者 | Wang, X, Hanyu, S, Tingting, D. | | 登録日 | 2023-06-26 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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1BU3
 | | REFINED CRYSTAL STRUCTURE OF CALCIUM-BOUND SILVER HAKE (PI 4.2) PARVALBUMIN AT 1.65 A. | | 分子名称: | CALCIUM ION, CALCIUM-BINDING PROTEIN | | 著者 | Richardson, R.C, Nelson, D.J, Royer, W.E, Harrington, D.J. | | 登録日 | 1998-08-30 | | 公開日 | 1999-08-10 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | X-Ray crystal structure and molecular dynamics simulations of silver hake parvalbumin (Isoform B).
Protein Sci., 9, 2000
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6U6T
 | | Neuronal growth regulator 1 (NEGR1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuronal growth regulator 1, ... | | 著者 | Machius, M, Venkannagari, H, Misra, A, Rudenko, G. | | 登録日 | 2019-08-30 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes.
J.Mol.Biol., 432, 2020
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8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | 分子名称: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8HF8
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 | | 分子名称: | 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | | 著者 | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | | 登録日 | 2022-11-09 | | 公開日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
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8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | 分子名称: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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6U7N
 | | Crystal structure of neurotrimin (NTM) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Neurotrimin, ... | | 著者 | Machius, M, Venkannagari, H, Misra, A, Rudenko, G, Rush, S. | | 登録日 | 2019-09-03 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.321 Å) | | 主引用文献 | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes.
J.Mol.Biol., 432, 2020
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2H80
 | | NMR structures of SAM domain of Deleted in Liver Cancer 2 (DLC2) | | 分子名称: | StAR-related lipid transfer protein 13 | | 著者 | Li, H.Y, Fung, K.L, Jin, D.Y, Chung, S.S, Ko, B.C, Sun, H.Z. | | 登録日 | 2006-06-06 | | 公開日 | 2007-05-15 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structures, dynamics, and lipid-binding of the sterile alpha-motif domain of the deleted in liver cancer 2
Proteins, 67, 2007
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7YE9
 | | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-05 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (4.17 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7YC9
 | | Co-crystal structure of BTK kinase domain with inhibitor | | 分子名称: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | 著者 | Zhou, X. | | 登録日 | 2022-07-01 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
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7YDI
 | | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2, focused refinement of RBD region | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32, Light chain of R1-32, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-04 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7YDY
 | | SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-04 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (4.75 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7YEG
 | | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-05 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3.73 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7YE5
 | | SARS-CoV-2 Spike (6P) in complex with 2 R1-32 Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-05 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | ELECTRON MICROSCOPY (6.75 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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6XLI
 | | CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY PT3 Fab+pT212/pT217-TAU PEPTIDE | | 分子名称: | GLYCEROL, PT3 Fab Heavy Chain, PT3 Fab Light Chain, ... | | 著者 | Malia, T.J, Teplyakov, A, Luo, J. | | 登録日 | 2020-06-28 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and Functional Characterization of hPT3, a Humanized Anti-Phospho Tau Selective Monoclonal Antibody.
J Alzheimers Dis, 77, 2020
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6NSL
 | | CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE | | 分子名称: | 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | | 著者 | Muckelbauer, J.M, Khan, J.A. | | 登録日 | 2019-01-25 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6BN6
 | | IDENTIFICATION OF BICYCLIC HEXAFLUOROISOPROPYL ALCOHOL SULFONAMIDES AS RORGT/RORC INVERSE AGONISTS | | 分子名称: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor ROR-gamma, SULFATE ION | | 著者 | Sack, J. | | 登録日 | 2017-11-16 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
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3GMH
 | | Crystal Structure of the Mad2 Dimer | | 分子名称: | Mitotic spindle assembly checkpoint protein MAD2A, SULFATE ION | | 著者 | Ozkan, E, Luo, X, Machius, M, Yu, H, Deisenhofer, J. | | 登録日 | 2009-03-13 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.95 Å) | | 主引用文献 | Structure of an intermediate conformer of the spindle checkpoint protein Mad2.
Proc.Natl.Acad.Sci.USA, 112, 2015
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2XEM
 | | Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase | | 分子名称: | (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one, DYNE7 | | 著者 | Liew, C.W, Sharff, A, Kotaka, M, Kong, R, Bricogne, G, Liang, Z.X, Lescar, J. | | 登録日 | 2010-05-17 | | 公開日 | 2010-10-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis.
J.Mol.Biol., 404, 2010
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