5M1M
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4R4T
| Crystal Structure of RPA70N in complex with 5-(4-((4-(5-carboxyfuran-2-yl)phenylthioamido)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | Descriptor: | 5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2014-08-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, 6, 2015
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5GGQ
| Crystal structure of Nivolumab Fab fragment | Descriptor: | nivolumab heavy chain, nivolumab light chain | Authors: | Heo, Y.S. | Deposit date: | 2016-06-16 | Release date: | 2016-11-09 | Last modified: | 2016-11-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy Nat Commun, 7, 2016
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5GGR
| PD-1 in complex with nivolumab Fab | Descriptor: | Programmed cell death protein 1, heavy chain, light chain | Authors: | Heo, Y.S. | Deposit date: | 2016-06-16 | Release date: | 2016-11-09 | Last modified: | 2016-11-16 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy Nat Commun, 7, 2016
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6SLG
| HUMAN ERK2 WITH ERK1/2 INHIBITOR, AZD0364. | Descriptor: | (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one, 1,2-ETHANEDIOL, ERK-tide, ... | Authors: | Breed, J, Phillips, C. | Deposit date: | 2019-08-19 | Release date: | 2019-11-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC). J.Med.Chem., 62, 2019
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4R3B
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8EZ0
| Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Symmetric conformation | Descriptor: | Insulin, Insulin receptor | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | Deposit date: | 2022-10-29 | Release date: | 2022-11-09 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor. Elife, 11, 2022
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8EYX
| Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Asymmetric conformation 1 | Descriptor: | Insulin, Insulin receptor | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | Deposit date: | 2022-10-29 | Release date: | 2022-11-09 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor. Elife, 11, 2022
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3K5C
| Human BACE-1 complex with NB-216 | Descriptor: | (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2009-10-07 | Release date: | 2010-03-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg.Med.Chem.Lett., 20, 2010
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6US2
| MTH1 in complex with compound 5 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | Authors: | Newby, Z.E.R, Lansdon, E.B. | Deposit date: | 2019-10-24 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.80012655 Å) | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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6US3
| MTH1 in complex with compound 4 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | Authors: | Newby, Z.E.R, Lansdon, E.B. | Deposit date: | 2019-10-24 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47028923 Å) | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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6US4
| MTH1 in complex with compound 32 | Descriptor: | 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Newby, Z.E.R, Lansdon, E.B. | Deposit date: | 2019-10-24 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95032907 Å) | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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6AZE
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1TL7
| Complex Of Gs- With The Catalytic Domains Of Mammalian Adenylyl Cyclase: Complex With 2'(3')-O-(N-methylanthraniloyl)-guanosine 5'-triphosphate and Mn | Descriptor: | 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase, ... | Authors: | Mou, T.C, Gille, A, Seifert, R.J, Sprang, S.R. | Deposit date: | 2004-06-09 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for the inhibition of mammalian membrane adenylyl cyclase by 2 '(3')-O-(N-Methylanthraniloyl)-guanosine 5 '-triphosphate. J.Biol.Chem., 280, 2005
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6SUR
| The Rab33B-Atg16L1 crystal structure | Descriptor: | Autophagy-related protein 16-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Metje-Sprink, J, Kuehnel, K. | Deposit date: | 2019-09-16 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.467 Å) | Cite: | Crystal structure of the Rab33B/Atg16L1 effector complex. Sci Rep, 10, 2020
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6BKB
| Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab AR3A heavy chain, ... | Authors: | Tzarum, N, Wilson, I.A, Law, M. | Deposit date: | 2017-11-08 | Release date: | 2018-12-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies. Sci Adv, 5, 2019
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4TLE
| Crystal structure of N-terminal C1 domain of KaiC | Descriptor: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | Authors: | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | Deposit date: | 2014-05-29 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.936 Å) | Cite: | Atomic-scale origins of slowness in the cyanobacterial circadian clock Science, 349, 2015
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6BKC
| Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab AR3B heavy chain, Fab AR3B light chain, ... | Authors: | Tzarum, N, Wilson, I.A, Law, M. | Deposit date: | 2017-11-08 | Release date: | 2018-12-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies. Sci Adv, 5, 2019
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4TLC
| Crystal structure of N-terminal C1 domain of KaiC | Descriptor: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | Authors: | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | Deposit date: | 2014-05-29 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Atomic-scale origins of slowness in the cyanobacterial circadian clock Science, 349, 2015
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8GF7
| Cryo-EM structure of serine 87 O-GlcNAc-modified alpha-synuclein fibrils | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein | Authors: | Balana, J.A, Nguyen, A.B, Saelices, L, Pratt, R.M. | Deposit date: | 2023-03-07 | Release date: | 2023-11-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | O-GlcNAc forces an alpha-synuclein amyloid strain with notably diminished seeding and pathology. Nat.Chem.Biol., 20, 2024
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3DU8
| Crystal structure of GSK-3 beta in complex with NMS-869553A | Descriptor: | (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Glycogen synthase kinase-3 beta | Authors: | Bossi, R.T. | Deposit date: | 2008-07-17 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. J.Med.Chem., 52, 2009
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4TLB
| Crystal structure of N-terminal C1 domain of KaiC | Descriptor: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | Authors: | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | Deposit date: | 2014-05-29 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock. Science, 349, 2015
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6UQJ
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7LRQ
| Crystal structure of human SFPQ/NONO heterodimer, conserved DBHS region | Descriptor: | CHLORIDE ION, Non-POU domain-containing octamer-binding protein, Splicing factor, ... | Authors: | Marshall, A.C, Bond, C.S, Mohnen, I. | Deposit date: | 2021-02-17 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Paraspeckle subnuclear bodies depend on dynamic heterodimerisation of DBHS RNA-binding proteins via their structured domains. J.Biol.Chem., 298, 2022
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4TL9
| Crystal structure of N-terminal C1 domain of KaiC | Descriptor: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | Authors: | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | Deposit date: | 2014-05-29 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock. Science, 349, 2015
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