6S09
 
 | | C-terminally extended and N-terminally truncated variant of FimA E. coli at 1.5 Angstrom resolution | | Descriptor: | ACETIC ACID, FimA, SODIUM ION, ... | | Authors: | Zyla, D, Echeverria, B, Glockshuber, R. | | Deposit date: | 2019-06-14 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.502 Å) | | Cite: | Donor strand sequence, rather than donor strand orientation, determines the stability and non-equilibrium folding of the type 1 pilus subunit FimA.
J.Biol.Chem., 295, 2020
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4A33
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | | Descriptor: | 2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2011-09-29 | | Release date: | 2011-12-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
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4A04
 | | Structure of the DNA-bound T-box domain of human TBX1, a transcription factor associated with the DiGeorge syndrome | | Descriptor: | DNA, T-BOX TRANSCRIPTION FACTOR TBX1 | | Authors: | El Omari, K, De Mesmaeker, J, Karia, D, Ginn, H, Bhattacharya, S, Mancini, E.J. | | Deposit date: | 2011-09-07 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure of the DNA-Bound T-Box Domain of Human Tbx1, a Transcription Factor Associated with the Digeorge Syndrome
Proteins, 80, 2012
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6RV3
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-30 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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4A8I
 | | Protein crystallization and microgravity: glucose isomerase crystals grown during the PCDF-PROTEIN mission | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, XYLOSE ISOMERASE | | Authors: | Decanniere, K, Patino-Lopez, L.-D, Sleutel, M, Evrard, C, Van De Weerdt, C, Haumont, E, Gavira, J.A, Otalora, F, Maes, D. | | Deposit date: | 2011-11-21 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Protein Crystallization and Microgravity: Glucose Isomerase Crystals Grown During the Pcdf-Protein Mission
To be Published
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4AEA
 | | Dimeric alpha-cobratoxin X-ray structure: Localization of intermolecular disulfides and possible mode of binding to nicotinic acetylcholine receptors | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, LONG NEUROTOXIN 1 | | Authors: | Rucktooa, P, Osipov, A.V, Kasheverov, I.E, Filkin, S.Y, Starkov, V.G, Andreeva, T.V, Bertrand, D, Utkin, Y.N, Tsetlin, V.I, Sixma, T.K. | | Deposit date: | 2012-01-09 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Dimeric Alpha-Cobratoxin X-Ray Structure: Localization of Intermolecular Disulfides and Possible Mode of Binding to Nicotinic Acetylcholine Receptors.
J.Biol.Chem., 287, 2012
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4AJM
 | | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | | Descriptor: | 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | Authors: | Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors
To be Published
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6S35
 | | LSD1/CoREST1 complex with macrocyclic peptide inhibitor | | Descriptor: | ALA-ARG-(D)LYS-MET-GLN-GLU-ALA-ARG-LYS-SER-THR, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | Authors: | Talibov, V.O, Dobritzsch, D. | | Deposit date: | 2019-06-24 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1.
Acs Omega, 5, 2020
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4AKK
 | | Structure of the NasR transcription antiterminator | | Descriptor: | 1,2-ETHANEDIOL, NITRATE REGULATORY PROTEIN | | Authors: | Boudes, M, Lazar, N, Graille, M, Durand, D, Gaidenko, T.A, Stewart, V, van Tilbeurgh, H. | | Deposit date: | 2012-02-24 | | Release date: | 2012-06-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.145 Å) | | Cite: | The Structure of the Nasr Transcription Antiterminator Reveals a One-Component System with a Nit Nitrate Receptor Coupled to an Antar RNA-Binding Effector.
Mol.Microbiol., 85, 2012
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4A2J
 | | PR X-Ray structures in agonist conformations reveal two different mechanisms for partial agonism in 11beta-substituted steroids | | Descriptor: | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, PROGESTERONE RECEPTOR, SULFATE ION | | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Bosch, R, Vu-Pham, D, McGuire, R, Oubrie, A, de Vlieg, J. | | Deposit date: | 2011-09-27 | | Release date: | 2012-04-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structures of progesterone receptor ligand binding domain in its agonist state reveal differing mechanisms for mixed profiles of 11 beta-substituted steroids.
J. Biol. Chem., 287, 2012
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4AGH
 | | Structural features of ssDNA binding protein MoSub1 from Magnaporthe oryzae | | Descriptor: | MOSUB1, TRANSCRIPTION COFACTOR | | Authors: | Huang, J, Zhao, Y, Huang, D, liu, J, Peng, Y. | | Deposit date: | 2012-01-27 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | Structural Features of the Single-Stranded DNA-Binding Protein Mosub1 from Magnaporthe Oryzae.
Acta Crystallogr.,Sect.D, 68, 2012
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4A21
 | | Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to sulfate | | Descriptor: | FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, SULFATE ION | | Authors: | Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J. | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Glycolytic and Non-Glycolytic Functions of the Fructose-1,6-Bisphosphate Aldolase of Mycobacterium Tuberculosis, an Essential Enzyme Produced by Replicating and Non-Replicating Bacilli
J.Biol.Chem., 286, 2011
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4AMU
 | | Structure of ornithine carbamoyltransferase from Mycoplasma penetrans with a P321 space group | | Descriptor: | ORNITHINE CARBAMOYLTRANSFERASE, CATABOLIC | | Authors: | Gallego, P, Benach, J, Planell, R, Querol, E, Perez-Pons, J.A, Reverter, D. | | Deposit date: | 2012-03-13 | | Release date: | 2012-03-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Characterization of the Enzymes Composing the Arginine Deiminase Pathway in Mycoplasma Penetrans.
Plos One, 7, 2012
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6PVK
 | | Bacterial 45SRbgA ribosomal particle class A | | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Ortega, J, Seffouh, A, Jain, N, Jahagirdar, D, Basu, K, Razi, A, Ni, X, Guarne, A, Britton, R.A. | | Deposit date: | 2019-07-20 | | Release date: | 2019-09-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural consequences of the interaction of RbgA with a 50S ribosomal subunit assembly intermediate.
Nucleic Acids Res., 47, 2019
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6Q7D
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13 | | Descriptor: | 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-12-13 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.978 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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4A22
 | | Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to N-(4-hydroxybutyl)- glycolohydroxamic acid bis- phosphate | | Descriptor: | 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, ... | | Authors: | Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J. | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Glycolytic and non-glycolytic functions of Mycobacterium tuberculosis fructose-1,6-bisphosphate aldolase, an essential enzyme produced by replicating and non-replicating bacilli.
J. Biol. Chem., 286, 2011
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4A4F
 | | Solution structure of SPF30 Tudor domain in complex with symmetrically dimethylated arginine | | Descriptor: | N3, N4-DIMETHYLARGININE, SURVIVAL OF MOTOR NEURON-RELATED-SPLICING FACTOR 30 | | Authors: | Tripsianes, K, Madl, T, Machyna, M, Fessas, D, Englbrecht, C, Fischer, U, Neugebauer, K.M, Sattler, M. | | Deposit date: | 2011-10-12 | | Release date: | 2011-11-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Dimethyl-Arginine Recognition by the Tudor Domains of Human Smn and Spf30 Proteins
Nat.Struct.Mol.Biol., 18, 2011
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6QAL
 | | ERK2 mini-fragment binding | | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QAW
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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4B5B
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-08-03 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.055 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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4AUE
 | | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2012-05-17 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
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4AUP
 | | Tuber borchii Phospholipase A2 | | Descriptor: | ACETATE ION, PHOSPHOLIPASE A2 GROUP XIII, THIOCYANATE ION | | Authors: | Cavazzini, D, Meschi, F, Corsini, R, Bolchi, A, Rossi, G.-L, Einsle, O, Ottonello, S. | | Deposit date: | 2012-05-18 | | Release date: | 2012-12-12 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Autoproteolytic Activation of a Symbiosis-Regulated Truffle Phospholipase A2
J.Biol.Chem., 288, 2013
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4B0S
 | | Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DEAMIDASE-DEPUPYLASE DOP, MAGNESIUM ION | | Authors: | Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E. | | Deposit date: | 2012-07-04 | | Release date: | 2012-09-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway.
Nat.Commun., 3, 2012
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6Q6G
 | | Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D1 box class | | Descriptor: | Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | | Authors: | Zhang, S, Barford, D. | | Deposit date: | 2018-12-11 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cyclin A2 degradation during the spindle assembly checkpoint requires multiple binding modes to the APC/C.
Nat Commun, 10, 2019
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4BAM
 | | Thrombin in complex with inhibitor | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ... | | Authors: | Xue, Y, Musil, D. | | Deposit date: | 2012-09-14 | | Release date: | 2013-01-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
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