7RDH
 
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8PCH
 | | CRYSTAL STRUCTURE OF PORCINE CATHEPSIN H DETERMINED AT 2.1 ANGSTROM RESOLUTION: LOCATION OF THE MINI-CHAIN C-TERMINAL CARBOXYL GROUP DEFINES CATHEPSIN H AMINOPEPTIDASE FUNCTION | | Descriptor: | CATHEPSIN H, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Guncar, G, Podobnik, M, Pungercar, J, Strukelj, B, Turk, V, Turk, D. | | Deposit date: | 1997-11-07 | | Release date: | 1998-12-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of porcine cathepsin H determined at 2.1 A resolution: location of the mini-chain C-terminal carboxyl group defines cathepsin H aminopeptidase function.
Structure, 6, 1998
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7R1O
 | | p62-ZZ domain of the human sequestosome in complex with dusquetide | | Descriptor: | Dusquetide, Sequestosome-1, ZINC ION | | Authors: | Hakansson, M, Hansson, M, Logan, D.T, Rozek, A, Donini, O. | | Deposit date: | 2022-02-03 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Dusquetide modulates innate immune response through binding to p62.
Structure, 30, 2022
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5DCO
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8P08
 | | Crystal structure of human CLK1 in complex with Leucettinib-21 | | Descriptor: | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1 | | Authors: | Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Chemical, Biochemical, Cellular, and Physiological Characterization of Leucettinib-21, a Down Syndrome and Alzheimer's Disease Drug Candidate.
J.Med.Chem., 66, 2023
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7RKC
 | | Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633 | | Descriptor: | ACETATE ION, D_3_633 | | Authors: | Kennedy, M.A, Stoddard, B.L, Hicks, D.R, Bera, A.K. | | Deposit date: | 2021-07-22 | | Release date: | 2022-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6O8U
 | | Crystal structure of IRAK4 in complex with compound 23 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | | Authors: | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | | Deposit date: | 2019-03-12 | | Release date: | 2019-05-22 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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7RH2
 | | IRF4 Transcription factor mutant -K59R | | Descriptor: | DNA (5'-D(*CP*AP*AP*CP*TP*GP*AP*AP*AP*CP*CP*GP*AP*GP*AP*AP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*TP*TP*CP*TP*CP*GP*GP*TP*TP*TP*CP*AP*GP*TP*TP*G)-3'), ICSAT transcription factor | | Authors: | Williams, S.J, Sundararaj, S, Casarotto, M.G. | | Deposit date: | 2021-07-16 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | The molecular basis for the development of adult T-cell leukemia/lymphoma in patients with an IRF4 K59R mutation.
Protein Sci., 31, 2022
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5DLE
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6OJV
 | | Crystal structure of human thymidylate synthase delta(7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid, Thymidylate synthase,Thymidylate synthase | | Authors: | Czyzyk, D.J, Anderson, K.S, Valhondo, M, Jorgensen, W.L. | | Deposit date: | 2019-04-12 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.593 Å) | | Cite: | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593, 2019
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5DLJ
 | | Crystal Structure of Cas-DNA-N1 complex | | Descriptor: | 39-mer DNA N1-F, 39-mer DNA N1-R, CRISPR-associated endonuclease Cas1, ... | | Authors: | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | | Deposit date: | 2015-09-05 | | Release date: | 2015-11-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
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7R23
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5DQC
 | | Co-crystal of BACE1 with compound 0211 | | Descriptor: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-17 | | Last modified: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2.4651 Å) | | Cite: | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
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5DQZ
 | | Crystal Structure of Cas-DNA-PAM complex | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (36-MER), ... | | Authors: | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | | Deposit date: | 2015-09-15 | | Release date: | 2015-11-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
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8P9G
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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5EBM
 | | KcsA T75G mutant in the nonconductive state | | Descriptor: | Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ... | | Authors: | Matulef, K, Valiyaveetil, F.I. | | Deposit date: | 2015-10-19 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation.
Structure, 24, 2016
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6NMW
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7R6V
 | | Human EXOG complexed with dRP-containing DNA | | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*CP*GP*TP*CP*AP*GP*AP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*CP*GP*TP*GP*CP*G)-3'), MAGNESIUM ION, ... | | Authors: | Szymanski, M.R, Yin, Y.W. | | Deposit date: | 2021-06-23 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Human EXOG possesses strong AP hydrolysis activity
To Be Published
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8P9H
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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7QZO
 | | Crystal structure of GacS D1 domain | | Descriptor: | CADMIUM ION, GLYCEROL, Histidine kinase | | Authors: | Fadel, F, Bassim, V, Botzanowski, T, Francis, V.I, Legrand, P, Porter, S.L, Bourne, Y, Cianferani, S, Vincent, F. | | Deposit date: | 2022-01-31 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS.
Structure, 30, 2022
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6NPO
 | | Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain) | | Descriptor: | Oligopeptide ABC transporter, oligopeptide-binding protein, Unknown peptide ligand, ... | | Authors: | Michalska, K, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-01-18 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of oligopeptide ABC transporter from
Bacillus anthracis str. Ames (substrate-binding domain)
To Be Published
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6NQ2
 | | Cryo-EM structure of human TPC2 channel in the ligand-bound closed state | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Two pore calcium channel protein 2 | | Authors: | She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2019-01-18 | | Release date: | 2019-03-27 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
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5E25
 | | Crystal structure of branched-chain aminotransferase from thermophilic archaea Geoglobus acetivorans complexed with alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, PYRIDOXAL-5'-PHOSPHATE, branched-chain aminotransferase | | Authors: | Boyko, K.M, Nikolaeva, A.Y, Stekhanova, T.N, Mardanov, A.V, Rakitin, A.L, Ravin, N.V, Popov, V.O. | | Deposit date: | 2015-09-30 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Thermostable Branched-Chain Amino Acid Transaminases From the Archaea Geoglobus acetivorans and Archaeoglobus fulgidus : Biochemical and Structural Characterization.
Front Bioeng Biotechnol, 7, 2019
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6NQD
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6NB3
 | | MERS-CoV complex with human neutralizing LCA60 antibody Fab fragment (state 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCA60 heavy chain, ... | | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-06 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
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