3PZE
 
 | | JNK1 in complex with inhibitor | | Descriptor: | 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide, Mitogen-activated protein kinase 8, SULFATE ION | | Authors: | Xue, Y. | | Deposit date: | 2010-12-14 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
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2YDJ
 | | Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | | Descriptor: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | Deposit date: | 2011-03-22 | | Release date: | 2012-01-25 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
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8AAD
 | | Two carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder | | Descriptor: | 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION | | Authors: | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F. | | Deposit date: | 2022-07-01 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
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2YDK
 | | Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | | Descriptor: | 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | Deposit date: | 2011-03-22 | | Release date: | 2012-04-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
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2YDI
 | | Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | | Descriptor: | 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | Deposit date: | 2011-03-21 | | Release date: | 2012-04-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
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7PP3
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7PP8
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7QVQ
 | | Human telomeric DNA G-quadruplex of a gold(III) complex containing the 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine ligand | | Descriptor: | 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex, POTASSIUM ION, human telomeric DNA | | Authors: | Bazzicalupi, C, Ryde, U, Gratteri, P, Bergmann, J. | | Deposit date: | 2022-01-23 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
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1DMF
 | | THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF CALLINECTES SAPIDUS METALLOTHIONEIN-I DETERMINED BY HOMONUCLEAR AND HETERONUCLEAR MAGNETIC RESONANCE SPECTOSCOPY | | Descriptor: | CADMIUM ION, CD6 METALLOTHIONEIN-1 | | Authors: | Narula, S.S, Brouwer, M, Hua, Y, Armitage, I.M. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of Callinectes sapidus metallothionein-1 determined by homonuclear and heteronuclear magnetic resonance spectroscopy.
Biochemistry, 34, 1995
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1DME
 | | THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF CALLINECTES SAPIDUS METALLOTHIONEIN-I DETERMINED BY HOMONUCLEAR AND HETERONUCLEAR MAGNETIC RESONANCE SPECTOSCOPY | | Descriptor: | CADMIUM ION, CD6 METALLOTHIONEIN-1 | | Authors: | Narula, S.S, Brouwer, M, Hua, Y, Armitage, I.M. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of Callinectes sapidus metallothionein-1 determined by homonuclear and heteronuclear magnetic resonance spectroscopy.
Biochemistry, 34, 1995
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1DMD
 | | THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF CALLINECTES SAPIDUS METALLOTHIONEIN-I DETERMINED BY HOMONUCLEAR AND HETERONUCLEAR MAGNETIC RESONANCE SPECTOSCOPY | | Descriptor: | CADMIUM ION, CD6 METALLOTHIONEIN-1 | | Authors: | Narula, S.S, Brouwer, M, Hua, Y, Armitage, I.M. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of Callinectes sapidus metallothionein-1 determined by homonuclear and heteronuclear magnetic resonance spectroscopy.
Biochemistry, 34, 1995
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1DMC
 | | THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF CALLINECTES SAPIDUS METALLOTHIONEIN-I DETERMINED BY HOMONUCLEAR AND HETERONUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | | Descriptor: | CADMIUM ION, CD6 METALLOTHIONEIN-1 | | Authors: | Narula, S.S, Brouwer, M, Hua, Y, Armitage, I.M. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of Callinectes sapidus metallothionein-1 determined by homonuclear and heteronuclear magnetic resonance spectroscopy.
Biochemistry, 34, 1995
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4MO4
 | | Crystal structure of AnmK bound to AMPPCP | | Descriptor: | Anhydro-N-acetylmuramic acid kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Bacik, J.P, Mark, B.L. | | Deposit date: | 2013-09-11 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
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5XX9
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4MT2
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5O2Y
 | | NMR structure of the calcium bound form of PulG, major pseudopilin from Klebsiella oxytoca T2SS | | Descriptor: | CALCIUM ION, General secretion pathway protein G | | Authors: | Lopez-Castilla, A, Bardiaux, B, Vitorge, B, Thomassin, J.-L, Zheng, W, Yu, X, Egelman, E.H, Nilges, M, Francetic, O, Izadi-Pruneyre, N. | | Deposit date: | 2017-05-23 | | Release date: | 2017-10-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the calcium-dependent type 2 secretion pseudopilus.
Nat Microbiol, 2, 2017
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4MO5
 | | Crystal structure of AnmK bound to AMPPCP and anhMurNAc | | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, MAGNESIUM ION, ... | | Authors: | Bacik, J.P, Mark, B.L. | | Deposit date: | 2013-09-11 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
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8JB0
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8JAX
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8WOI
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8WP0
 | | Structure of the Arabidopsis E529Q/E1174Q ABCB19 in the ATP bound state | | Descriptor: | ABC transporter B family member 19, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Ying, W, Wei, H, Liu, X, Sun, L. | | Deposit date: | 2023-10-08 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
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8WOO
 | | Structure of the wild-type Arabidopsis ABCB19 in the brassinolide and AMP-PNP bound state | | Descriptor: | ABC transporter B family member 19, Brassinolide, MAGNESIUM ION, ... | | Authors: | Ying, W, Wei, H, Liu, X, Sun, L. | | Deposit date: | 2023-10-07 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
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8WOM
 | | Structure of the wild-type Arabidopsis ABCB19 in the brassinolide-bound state | | Descriptor: | ABC transporter B family member 19, Brassinolide | | Authors: | Ying, W, Wei, H, Liu, X, Sun, L. | | Deposit date: | 2023-10-07 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
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7LHC
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3TMP
 | | The catalytic domain of human deubiquitinase DUBA in complex with ubiquitin aldehyde | | Descriptor: | OTU domain-containing protein 5, Polyubiquitin-C | | Authors: | Ma, X, Yin, J, Hymowitz, S, Starovasnik, M, Cochran, A. | | Deposit date: | 2011-08-31 | | Release date: | 2012-01-11 | | Last modified: | 2012-02-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
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