4KP1
 
 | | Crystal structure of IPM isomerase large subunit from methanococcus jannaschii (MJ0499) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,4-dimethylpentane-2,4-diol, Isopropylmalate/citramalate isomerase large subunit, ... | | Authors: | Hwang, K.Y, Lee, E.H. | | Deposit date: | 2013-05-13 | | Release date: | 2014-04-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural characterization and comparison of the large subunits of IPM isomerase and homoaconitase from Methanococcus jannaschii
Acta Crystallogr.,Sect.D, 70, 2014
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4KP2
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6DMJ
 | | A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain | | Descriptor: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4 | | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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8D7M
 | | Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide | | Descriptor: | Casein kinase I isoform delta, Period circadian protein homolog 2 peptide | | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | | Deposit date: | 2022-06-07 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
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8D7N
 | | Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide | | Descriptor: | Casein kinase I isoform delta, Period circadian protein homolog 2 peptide | | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | | Deposit date: | 2022-06-07 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
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8D7O
 | | Human Casein kinase 1 delta in complex with phosphorylated human PERIOD2 FASP peptide | | Descriptor: | Casein kinase I isoform delta, Period circadian protein homolog 2 peptide | | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | | Deposit date: | 2022-06-07 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
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8D7P
 | | Human Casein kinase 1 delta in complex with phosphorylated Drosophila PERIOD peptide | | Descriptor: | Casein kinase I isoform delta, Period circadian protein peptide | | Authors: | Philpott, J.M, Freeberg, A.M, Tripathi, S.M, Partch, C.L. | | Deposit date: | 2022-06-07 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | PERIOD phosphorylation leads to feedback inhibition of CK1 activity to control circadian period.
Mol.Cell, 83, 2023
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8JTM
 | | CNE55.664 trimer in complex with broadly neutralizing HIV antibody PGT145 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ... | | Authors: | Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V. | | Deposit date: | 2023-06-22 | | Release date: | 2023-10-25 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (5.14 Å) | | Cite: | An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
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8JTD
 | | BJOX2000.664 trimer in complex with Fab fragment of broadly neutralizing HIV antibody PGT145 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ... | | Authors: | Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V. | | Deposit date: | 2023-06-21 | | Release date: | 2023-10-25 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
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3OBR
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6PTS
 | | NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state A) | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | | Authors: | Fang, Z, Lee, K, Gasmi-Seabrook, G, Ikura, M, Marshall, C.B. | | Deposit date: | 2019-07-16 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1NDO
 | | NAPHTHALENE 1,2-DIOXYGENASE | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, NAPHTHALENE 1,2-DIOXYGENASE | | Authors: | Ramaswamy, S, Kauppi, B, Carredano, E. | | Deposit date: | 1998-01-11 | | Release date: | 1999-03-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of an aromatic-ring-hydroxylating dioxygenase-naphthalene 1,2-dioxygenase.
Structure, 6, 1998
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6PTW
 | | NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B) | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | | Authors: | Fang, Z, Lee, K, Gasmi-Seabrook, G, Ikura, M, Marshall, C.B. | | Deposit date: | 2019-07-16 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Multivalent assembly of KRAS with the RAS-binding and cysteine-rich domains of CRAF on the membrane.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4GQZ
 | | Crystal Structure of S.CueP | | Descriptor: | CHLORIDE ION, Putative periplasmic or exported protein | | Authors: | Ha, N.C, Yoon, B.Y. | | Deposit date: | 2012-08-24 | | Release date: | 2013-08-14 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Structure of the periplasmic copper-binding protein CueP from Salmonella enterica serovar Typhimurium
Acta Crystallogr.,Sect.D, 69, 2013
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7W3D
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | | Descriptor: | Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | | Authors: | Park, T.H, Lee, B.I. | | Deposit date: | 2021-11-25 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of BET specific bromodomain inhibitors with a novel scaffold.
Bioorg.Med.Chem., 72, 2022
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7XHY
 | | Crystal structure of MerTK Kinase domain with BMS794833 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Tyrosine-protein kinase Mer, ... | | Authors: | Kim, J.H, Lee, B.I. | | Deposit date: | 2022-04-11 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | BMS794833 inhibits macrophage efferocytosis by directly binding to MERTK and inhibiting its activity.
Exp.Mol.Med., 54, 2022
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6NDL
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor | | Descriptor: | 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, Biotin Protein Ligase, GLYCEROL | | Authors: | Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K. | | Deposit date: | 2018-12-13 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads.
Acs Chem.Biol., 14, 2019
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4MMN
 | | Structural and biochemical analysis of type II free methionine-R-sulfoxide reductase from Thermoplasma acidophilum | | Descriptor: | Putative uncharacterized protein Ta0848 | | Authors: | Kim, H.S, Kwak, G.H, Lee, K.T, Jo, C.H, Hwang, K.Y, Kim, H.Y. | | Deposit date: | 2013-09-09 | | Release date: | 2014-08-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and biochemical analysis of a type II free methionine-R-sulfoxide reductase from Thermoplasma acidophilum
Arch.Biochem.Biophys., 560, 2014
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4MN7
 | | Structural and biochemical analysis of type II free methionine-R-sulfoxide reductase from Thermoplasma acidophilum | | Descriptor: | METHIONINE SULFOXIDE, Putative uncharacterized protein Ta0848 | | Authors: | Kim, H.S, Kwak, G.H, Lee, K.T, Jo, C.H, Hwang, K.Y, Kim, H.Y. | | Deposit date: | 2013-09-10 | | Release date: | 2014-08-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and biochemical analysis of a type II free methionine-R-sulfoxide reductase from Thermoplasma acidophilum
Arch.Biochem.Biophys., 560, 2014
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6IRK
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6IRJ
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6J43
 | | Proteinase K determined by PAL-XFEL | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Lee, S.J, Park, J. | | Deposit date: | 2019-01-07 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Application of a high-throughput microcrystal delivery system to serial femtosecond crystallography.
J.Appl.Crystallogr., 53, 2020
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4EZH
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4EZ4
 | | free KDM6B structure | | Descriptor: | Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Cheng, Z.J, Patel, D.J. | | Deposit date: | 2012-05-02 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
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4EYU
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