8JYV
 
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8EBT
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1LD5
 | | STRUCTURE OF BPTI MUTANT A16V | | Descriptor: | PANCREATIC TRYPSIN INHIBITOR | | Authors: | Cierpicki, T, Otlewski, J. | | Deposit date: | 2002-04-08 | | Release date: | 2002-09-11 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability.
J.Mol.Biol., 321, 2002
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8UOB
 | | SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682 | | Descriptor: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E. | | Deposit date: | 2023-10-19 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8JYZ
 | | Cryo-EM structure of RCD-1 pore from Neurospora crassa | | Descriptor: | Gasdermin-like protein rcd-1-1, Gasdermin-like protein rcd-1-2 | | Authors: | Hou, Y.J, Sun, Q, Li, Y, Ding, J. | | Deposit date: | 2023-07-04 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Cleavage-independent activation of ancient eukaryotic gasdermins and structural mechanisms.
Science, 384, 2024
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8UOU
 | | Structure of atypical asparaginase from Rhodospirillum rubrum in complex with L-Asp | | Descriptor: | ASPARTIC ACID, Asparaginase, CHLORIDE ION | | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | | Deposit date: | 2023-10-20 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
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8DV3
 | | Crystal structure of human CD1b presenting Phosphatidylinositol C34:1 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Farquhar, R, Rossjohn, J, Shahine, A. | | Deposit date: | 2022-07-28 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b.
J.Biol.Chem., 299, 2023
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1HH9
 | | ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH A PEPTIDE | | Descriptor: | IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN), IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN), PEP-2 | | Authors: | Hahn, M, Wessner, H, Schneider-Mergener, J, Hohne, W. | | Deposit date: | 2000-12-21 | | Release date: | 2001-01-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Evolutionary Transition Pathways for Changing Peptide Ligand Specificity and Structure
Embo J., 19, 2000
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8UUW
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8EBY
 | | XPC release from Core7-XPA-DNA (AP) | | Descriptor: | DNA, DNA repair protein complementing XP-A cells, DNA repair protein complementing XP-C cells, ... | | Authors: | Kim, J, Yang, W. | | Deposit date: | 2022-08-31 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
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5KGM
 | | 2.95A resolution structure of Apo independent phosphoglycerate mutase from C. elegans (monoclinic form) | | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Yu, H, Dranchak, P, MacArthur, R, Li, Z, Carlow, T, Suga, H, Inglese, J. | | Deposit date: | 2016-06-13 | | Release date: | 2017-04-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Macrocycle peptides delineate locked-open inhibition mechanism for microorganism phosphoglycerate mutases.
Nat Commun, 8, 2017
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8DV4
 | | Crystal structure of the BC8B TCR-CD1b-PI complex | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Farquhar, R, Rossjohn, J, Shahine, A. | | Deposit date: | 2022-07-28 | | Release date: | 2023-04-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b.
J.Biol.Chem., 299, 2023
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8JYW
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8EBW
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8EBV
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5KH6
 | | SETDB1 in complex with a fragment candidate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Walker, J.R, Harding, R.J, Mader, P, Dobrovetsky, E, Dong, A, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Brown, P.J, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-09-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | SETDB1 in complex with a fragment candidate
To be published
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8JYX
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3MO8
 | | PWWP Domain of Human Bromodomain and PHD finger-containing protein 1 In Complex with Trimethylated H3K36 Peptide | | Descriptor: | Histone H3.2 TRIMETHYLATED H3K36 PEPTIDE, Peregrin | | Authors: | Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
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8EBX
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5KEL
 | | EBOV GP in complex with variable Fab domains of IgGs c2G4 and c13C6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ebola surface glycoprotein, ... | | Authors: | Pallesen, J, Murin, C.D, de Val, N, Cottrell, C.A, Hastie, K.M, Turner, H.L, Fusco, M.L, Flyak, A.I, Zeitlin, L, Crowe Jr, J.E, Andersen, K.G, Saphire, E.O, Ward, A.B. | | Deposit date: | 2016-06-09 | | Release date: | 2016-09-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structures of Ebola virus GP and sGP in complex with therapeutic antibodies.
Nat Microbiol, 1, 2016
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8UOW
 | | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21A) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Asparaginase | | Authors: | Lubkowski, J, Wlodawer, A, Zhang, D. | | Deposit date: | 2023-10-20 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
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8K70
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8V52
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5KHM
 | | The first BET bromodomain of BRD4 bound to compound 13 in a bivalent manner | | Descriptor: | (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Patel, J. | | Deposit date: | 2016-06-15 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Optimization of a Series of Bivalent Triazolopyridazine Based Bromodomain and Extraterminal Inhibitors: The Discovery of (3R)-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one (AZD5153).
J.Med.Chem., 59, 2016
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7VNU
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