5UGC
 
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | | Authors: | Gajiwala, K.S, Ferre, R.A. | | Deposit date: | 2017-01-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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6K1Q
 | | Human endothelin receptor type-B in complex with inverse agonist IRL2500 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid, Endothelin B receptor,Endolysin,Endothelin B receptor, ... | | Authors: | Nagiri, C, Shihoya, W, Nureki, O. | | Deposit date: | 2019-05-11 | | Release date: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human endothelin ETBreceptor in complex with peptide inverse agonist IRL2500.
Commun Biol, 2, 2019
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6A1B
 | | Mandelate oxidase mutant-Y128F with 3,3,3-trifluoro-2,2-dihydroxypropanoic acid | | Descriptor: | 3,3,3-trifluoro-2,2-dihydroxypropanoic acid, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE | | Authors: | Li, T.L, Lin, K.H. | | Deposit date: | 2018-06-07 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
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2OUL
 | | The Structure of Chagasin in Complex with a Cysteine Protease Clarifies the Binding Mode and Evolution of a New Inhibitor Family | | Descriptor: | Chagasin, Falcipain 2 | | Authors: | Wang, S.X, Chand, K, Huang, R, Whisstock, J, Jacobelli, J, Fletterick, R.J, Rosenthal, P.J, McKerrow, J.H. | | Deposit date: | 2007-02-11 | | Release date: | 2008-02-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of chagasin in complex with a cysteine protease clarifies the binding mode and evolution of an inhibitor family.
Structure, 15, 2007
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6A0D
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6KZY
 | | Cu(II) loaded Tegillarca granosa ferritin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Ferritin, ... | | Authors: | Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S. | | Deposit date: | 2019-09-25 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.30057073 Å) | | Cite: | Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
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4G1C
 | | Human SIRT5 bound to Succ-IDH2 and Carba-NAD | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | | Authors: | Dai, H. | | Deposit date: | 2012-07-10 | | Release date: | 2012-08-15 | | Last modified: | 2012-09-19 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5.
J.Org.Chem., 77, 2012
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7D12
 | | NMR solution structures of CAG RNA-DB213 binding complex | | Descriptor: | N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*CP*UP*UP*CP*GP*GP*CP*AP*GP*CP*AP*GP*C)-3'), SODIUM ION | | Authors: | Chan, H.Y.E, Guo, P. | | Deposit date: | 2020-09-12 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | CAG RNAs induce DNA damage and apoptosis by silencing NUDT16 expression in polyglutamine degeneration.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1R7A
 | | Sucrose Phosphorylase from Bifidobacterium adolescentis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, sucrose phosphorylase | | Authors: | Sprogoe, D, van den Broek, L.A.M, Mirza, O, Kastrup, J.S, Voragen, A.G.J, Gajhede, M, Skov, L.K. | | Deposit date: | 2003-10-21 | | Release date: | 2004-02-10 | | Last modified: | 2014-11-19 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of sucrose phosphorylase from Bifidobacterium adolescentis.
Biochemistry, 43, 2004
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1RC7
 | | Crystal structure of RNase III Mutant E110K from Aquifex Aeolicus complexed with ds-RNA at 2.15 Angstrom Resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3', Ribonuclease III | | Authors: | Blaszczyk, J, Gan, J, Ji, X. | | Deposit date: | 2003-11-03 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Noncatalytic Assembly of Ribonuclease III with Double-Stranded RNA.
Structure, 12, 2004
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1R2R
 | | CRYSTAL STRUCTURE OF RABBIT MUSCLE TRIOSEPHOSPHATE ISOMERASE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Aparicio, R, Ferreira, S.T, Polikarpov, I. | | Deposit date: | 2003-09-29 | | Release date: | 2003-12-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Closed conformation of the active site loop of rabbit muscle triosephosphate isomerase in the absence of substrate: evidence of conformational heterogeneity.
J.Mol.Biol., 334, 2003
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1TTO
 | | Crystal structure of the Rnase T1 variant R2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RNase T1 | | Authors: | Hahn, U, Czaja, R, Perbandt, M, Betzel, C. | | Deposit date: | 2004-06-23 | | Release date: | 2005-09-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Purine activity of RNase T1RV is further improved by substitution of Trp59 by tyrosine
Biochem.Biophys.Res.Commun., 336, 2005
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1SLH
 | | Mycobacterium tuberculosis dUTPase complexed with magnesium and dUDP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Sawaya, M.R, Chan, S, Segelke, B, Lekin, T, Krupka, H, Cho, U.S, Kim, M.-Y, So, M, Kim, C.-Y, Naranjo, C.M, Rogers, Y.C, Park, M.S, Waldo, G.S, Pashkov, I, Cascio, D, Yeates, T.O, Perry, J.L, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-03-05 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.
J.Mol.Biol., 341, 2004
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6F2P
 | | Structure of Paenibacillus xanthan lyase to 2.6 A resolution | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Lo Leggio, L, Kadziola, A. | | Deposit date: | 2017-11-27 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and Dynamics of a Promiscuous Xanthan Lyase from Paenibacillus nanensis and the Design of Variants with Increased Stability and Activity.
Cell Chem Biol, 26, 2019
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6F4P
 | | Human JMJD5 in complex with MN, NOG and RPS6 (129-144) (complex-1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, JmjC domain-containing protein 5, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2017-11-29 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
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1S9R
 | | CRYSTAL STRUCTURE OF ARGININE DEIMINASE COVALENTLY LINKED WITH A REACTION INTERMEDIATE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGININE, Arginine deiminase, ... | | Authors: | Das, K, Buttler, G.H, Kwiatkowski, V, Clark Jr, A.D, Yadav, P, Arnold, E. | | Deposit date: | 2004-02-05 | | Release date: | 2004-04-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Arginine Deiminase with Covalent Reaction
Intermediates: Implications for Catalytic Mechanism
Structure, 12, 2004
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1RYA
 | | Crystal Structure of the E. coli GDP-mannose mannosyl hydrolase in complex with GDP and MG | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GDP-mannose mannosyl hydrolase, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Legler, P.M, Mildvan, A.S, Amzel, L.M. | | Deposit date: | 2003-12-20 | | Release date: | 2004-06-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure and mechanism of GDP-mannose glycosyl hydrolase, a Nudix enzyme that cleaves at carbon instead of phosphorus.
Structure, 12, 2004
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1R30
 | | The Crystal Structure of Biotin Synthase, an S-Adenosylmethionine-Dependent Radical Enzyme | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Biotin synthase, ... | | Authors: | Berkovitch, F, Nicolet, Y, Wan, J.T, Jarrett, J.T, Drennan, C.L. | | Deposit date: | 2003-09-30 | | Release date: | 2004-01-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of biotin synthase, an S-adenosylmethionine-dependent radical enzyme.
Science, 303, 2004
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1UCN
 | | X-ray structure of human nucleoside diphosphate kinase A complexed with ADP at 2 A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Chen, Y, Gallois-Montbrun, S, Schneider, B, Veron, M, Morera, S, Deville-Bonne, D, Janin, J. | | Deposit date: | 2003-04-16 | | Release date: | 2003-09-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nucleotide Binding to Nucleoside Diphosphate Kinases: X-ray Structure of Human NDPK-A in Complex with ADP and Comparison to Protein Kinases
J.Mol.Biol., 332, 2003
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6HL2
 | | wild-type NuoEF from Aquifex aeolicus - oxidized form | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | | Deposit date: | 2018-09-10 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
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6GI3
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1TE6
 | | Crystal Structure of Human Neuron Specific Enolase at 1.8 angstrom | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Gamma enolase, ... | | Authors: | Chai, G, Brewer, J, Lovelace, L, Aoki, T, Minor, W, Lebioda, L. | | Deposit date: | 2004-05-24 | | Release date: | 2004-09-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Expression, Purification and the 1.8 A Resolution Crystal Structure of Human Neuron Specific Enolase
J.Mol.Biol., 341, 2004
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1UKK
 | | Structure of Osmotically Inducible Protein C from Thermus thermophilus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Osmotically Inducible Protein C | | Authors: | Rehse, P.H, Kuramitsu, S, Yokoyama, S, Miyano, M, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-08-24 | | Release date: | 2004-05-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic Structure and Biochemical Analysis of the Thermus thermophilus Osmotically Inducible Protein C
J.MOL.BIOL., 338, 2004
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5ZG0
 | | Crystal structure of the GluA2o LBD in complex with glutamate and Compound-1 | | Descriptor: | 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | Deposit date: | 2018-03-07 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
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1RMU
 | | THREE-DIMENSIONAL STRUCTURES OF DRUG-RESISTANT MUTANTS OF HUMAN RHINOVIRUS 14 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | | Authors: | Badger, J, Krishnaswamy, S, Kremer, M.J, Oliveira, M.A, Rossmann, M.G, Heinz, B.A, Rueckert, R.R, Dutko, F.J, Mckinlay, M.A. | | Deposit date: | 1988-10-03 | | Release date: | 1990-01-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Three-dimensional structures of drug-resistant mutants of human rhinovirus 14.
J.Mol.Biol., 207, 1989
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