6AQ1
 
 | | The crystal structure of human FABP3 | | Descriptor: | Fatty acid-binding protein, heart, PALMITIC ACID, ... | | Authors: | Hsu, H.C, Li, H. | | Deposit date: | 2017-08-18 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.40000093 Å) | | Cite: | SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins.
Eur J Med Chem, 154, 2018
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6E8H
 | | Legionella Longbeachae LeSH (Llo2327) | | Descriptor: | CHLORIDE ION, LeSH (Llo2327) | | Authors: | Kaneko, T, Li, S.S.C. | | Deposit date: | 2018-07-29 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
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6B6R
 | | Orthorhombic trypsin cryocooled to 100 K with 50% mpd as cryoprotectant | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, BENZAMIDINE, CALCIUM ION, ... | | Authors: | Juers, D.H. | | Deposit date: | 2017-10-03 | | Release date: | 2017-11-01 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.00005865 Å) | | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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6EIS
 | | DYRK1A in complex with JWC-055 | | Descriptor: | 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Rothweiler, U. | | Deposit date: | 2017-09-19 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
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6E94
 | | Crystal Structure of ZBTB38 C-terminal Zinc Fingers 6-9 K1055R in complex with methylated DNA | | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*TP*CP*AP*TP*(DCM)P*GP*GP*(DCM)P*GP*CP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*(DCM)P*GP*CP*(DCM)P*GP*AP*TP*GP*AP*GP*TP*GP*C)-3'), ZINC ION, ... | | Authors: | Hudson, N.O, Whitby, F.G, Buck-Koehntop, B.A. | | Deposit date: | 2018-07-31 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.594 Å) | | Cite: | Structural insights into methylated DNA recognition by the C-terminal zinc fingers of the DNA reader protein ZBTB38.
J. Biol. Chem., 293, 2018
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6B77
 | | Structures of the two-chain human plasma factor XIIa co-crystallized with potent inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL, ... | | Authors: | Dementiev, A.A, Silva, A, Yee, C, Flavin, M.T, Partridge, J.R. | | Deposit date: | 2017-10-03 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018
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5W7T
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6E9L
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4PRF
 | | A Second Look at the HDV Ribozyme Structure and Dynamics. | | Descriptor: | Hepatitis Delta virus ribozyme, STRONTIUM ION, U1 small nuclear ribonucleoprotein A | | Authors: | Kapral, G.J, Jain, S, Noeske, J, Doudna, J.A, Richardson, D.C, Richardson, J.S. | | Deposit date: | 2014-03-05 | | Release date: | 2014-10-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | New tools provide a second look at HDV ribozyme structure, dynamics and cleavage.
Nucleic Acids Res., 42, 2014
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6LNM
 | | Crystal structure of CASK-CaMK in complex with Mint1-CID | | Descriptor: | Amyloid-beta A4 precursor protein-binding family A member 1, Peripheral plasma membrane protein CASK | | Authors: | Cai, Q, Zhang, M. | | Deposit date: | 2019-12-31 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the High-Affinity Interaction between CASK and Mint1.
Structure, 28, 2020
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6EKG
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4PRU
 | | Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 2.2 A resolution | | Descriptor: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, GLYCEROL, Lysozyme C | | Authors: | McGovern, R.E, Lyons, J.A, Crowley, P.B. | | Deposit date: | 2014-03-06 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural study of a small molecule receptor bound to dimethyllysine in lysozyme.
Chem Sci, 6, 2015
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5ZC1
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6LKR
 | | Crystal structure of mouse DCAR2 CRD domain complex | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, C-type lectin domain family 4, member b1, ... | | Authors: | Omahdi, Z, Horikawa, Y, Toyonaga, K, Kakuta, Y, Yamasaki, S. | | Deposit date: | 2019-12-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural insight into the recognition of pathogen-derived phosphoglycolipids by C-type lectin receptor DCAR.
J.Biol.Chem., 295, 2020
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5ZC6
 | | Solution structure of H-RasT35S mutant protein in complex with KBFM123 | | Descriptor: | 3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Matsumoto, S, Hayashi, Y, Hiraga, T, Matsuo, K, Kataoka, T. | | Deposit date: | 2018-02-15 | | Release date: | 2018-09-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Molecular Basis for Allosteric Inhibition of GTP-Bound H-Ras Protein by a Small-Molecule Compound Carrying a Naphthalene Ring
Biochemistry, 57, 2018
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6EOC
 | | Crystal structure of AMPylated GRP78 in apo form (Crystal form 2) | | Descriptor: | 78 kDa glucose-regulated protein, CITRATE ANION, SULFATE ION | | Authors: | Yan, Y, Preissler, S, Ron, D, Read, R.J. | | Deposit date: | 2017-10-09 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
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6ERU
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6LXJ
 | | Crystal structure of human Z2B3 Fab in complex with influenza virus neuraminidase from A/Anhui/1/2013 (H7N9) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Heavy chain of Z2B3 Fab, ... | | Authors: | Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y. | | Deposit date: | 2020-02-11 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.903 Å) | | Cite: | Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus.
Mbio, 11, 2020
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5ZEO
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4PEP
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6E6P
 | | HRAS G13D bound to GppNHp (Ha,b,c13GNP) | | Descriptor: | CALCIUM ION, GLYCEROL, GTPase HRas, ... | | Authors: | Johnson, C.W, Mattos, C. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
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5V9O
 | | KRAS G12C inhibitor | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Westover, K, Lu, J. | | Deposit date: | 2017-03-23 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
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8GGI
 | | Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #1 of 20) | | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor | | Authors: | Papasergi-Scott, M.M, Skiniotis, G. | | Deposit date: | 2023-03-08 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
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7VLJ
 | | Crystal structure of Entamoeba histolytica serine protease inhibitor, Histopin, in the cleaved conformation | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, POTASSIUM ION, ... | | Authors: | Ali, M.F, Devi, S, Gourinath, S. | | Deposit date: | 2021-10-03 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of Entamoeba histolytica serine protease inhibitor, Histopin, in the cleaved conformation
To Be Published
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6E69
 | | Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | | Descriptor: | 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wolan, D.W, Woehl, J.L, Kitamura, S. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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