3HNG
 
 | | Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide | | Descriptor: | CHLORIDE ION, N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide, Vascular endothelial growth factor receptor 1 | | Authors: | Tresaugues, L, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Kragh-Nielsen, T, Kotzch, A, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van der Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-05-31 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide
To be Published
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8QC4
 | | M. tuberculosis salicylate synthase MbtI in complex with 5-(3-carboxyphenyl)furan-2-carboxylic acid | | Descriptor: | 5-(3-carboxyphenyl)furan-2-carboxylic acid, GLYCEROL, SULFATE ION, ... | | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | | Deposit date: | 2023-08-25 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.578 Å) | | Cite: | Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery.
Pharmaceuticals, 16, 2023
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8AR7
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8AR8
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6TNE
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8BT1
 | | YdaT transcription regulator (CII functional analog) | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Prolic-Kalinsek, M, Loris, R. | | Deposit date: | 2022-11-27 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.39788437 Å) | | Cite: | Structural basis of DNA binding by YdaT, a functional equivalent of the CII repressor in the cryptic prophage CP-933P from Escherichia coli O157:H7.
Acta Crystallogr D Struct Biol, 79, 2023
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4ZZO
 | | Human ERK2 in complex with an irreversible inhibitor | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 1, N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide, SULFATE ION | | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | Deposit date: | 2015-04-10 | | Release date: | 2015-05-27 | | Last modified: | 2015-08-26 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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8QN5
 | | M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form) | | Descriptor: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, AMMONIUM ION, CITRATE ANION, ... | | Authors: | Mori, M, Villa, S, Meneghetti, M, Bellinzoni, M. | | Deposit date: | 2023-09-25 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.544 Å) | | Cite: | Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery.
Pharmaceuticals, 16, 2023
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7ZXK
 | | Human IL-27 in complex with neutralizing SRF388 FAb fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 subunit alpha, Interleukin-27 subunit beta, ... | | Authors: | Bloch, Y, Skladanowska, K, Strand, J, Welin, M, Logan, D, Hill, J, Savvides, S.N. | | Deposit date: | 2022-05-21 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27.
Cell Rep, 41, 2022
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8CO2
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6UBH
 | | Structure of the MM7 Erbin PDZ variant in complex with a high-affinity peptide | | Descriptor: | Erbin, SODIUM ION, peptide | | Authors: | Singer, A.U, Teyra, J, McLaughlin, M, Ernst, A, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2019-09-11 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comprehensive Assessment of the Relationship Between Site -2 Specificity and Helix alpha 2 in the Erbin PDZ Domain.
J.Mol.Biol., 433, 2021
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8PUX
 | | TEAD2 with a covalent inhibitor | | Descriptor: | MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide | | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | | Deposit date: | 2023-07-17 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
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8PUY
 | | TEAD2 with a covalent inhibitor | | Descriptor: | MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide | | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | | Deposit date: | 2023-07-17 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
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5A6O
 | | Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3) | | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL | | Authors: | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | | Deposit date: | 2015-06-30 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
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1TRA
 | | RESTRAINED REFINEMENT OF THE MONOCLINIC FORM OF YEAST PHENYLALANINE TRANSFER RNA. TEMPERATURE FACTORS AND DYNAMICS, COORDINATED WATERS, AND BASE-PAIR PROPELLER TWIST ANGLES | | Descriptor: | MAGNESIUM ION, TRNAPHE | | Authors: | Westhof, E, Sundaralingam, M. | | Deposit date: | 1986-05-16 | | Release date: | 1986-07-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Restrained refinement of the monoclinic form of yeast phenylalanine transfer RNA. Temperature factors and dynamics, coordinated waters, and base-pair propeller twist angles.
Biochemistry, 25, 1986
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5CM1
 | | X-ray structure of perdeuterated TTR mutant - T119M at 1.22A | | Descriptor: | Transthyretin | | Authors: | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | X-ray structure of perdeuterated TTR mutant - T119M at 1.22A
To Be Published
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5CLX
 | | X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution | | Descriptor: | GLYCEROL, Transthyretin | | Authors: | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution
To Be Published
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5CLY
 | | X-ray structure of TTR mutant - S52P at 1.23A resolution | | Descriptor: | GLYCEROL, Transthyretin | | Authors: | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | X-ray structure of TTR mutant - S52P at 1.23A resolution
To Be Published
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5CLZ
 | | X-ray structure of TTR mutant - T119M at 1.22A resolution | | Descriptor: | Transthyretin | | Authors: | Yee, A.W, Moulin, M, Mossou, E, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | X-ray structure of TTR mutant - T119M at 1.22A resolution
To Be Published
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5CN3
 | | X-ray structure of wild-type TTR at 1.30A resolution | | Descriptor: | Transthyretin | | Authors: | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | | Deposit date: | 2015-07-17 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5CNH
 | | X-ray structure of perdeuterated wild-type TTR at 1.42A resolution | | Descriptor: | Transthyretin | | Authors: | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | | Deposit date: | 2015-07-17 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016
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8P5S
 | | Crystal structure of the homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum | | Descriptor: | 2-oxoglutarate dehydrogenase E1/E2 component, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, ... | | Authors: | Yang, L, Boyko, A, Bellinzoni, M. | | Deposit date: | 2023-05-24 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.459 Å) | | Cite: | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
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8P5T
 | | Single particle cryo-EM structure of the homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum | | Descriptor: | 2-oxoglutarate dehydrogenase E1/E2 component, ACETYL COENZYME *A, MAGNESIUM ION, ... | | Authors: | Yang, L, Mechaly, A.M, Bellinzoni, M. | | Deposit date: | 2023-05-24 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (2.17 Å) | | Cite: | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
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8P5V
 | | Single particle cryo-EM structure of homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum in complex with the product succinyl-CoA | | Descriptor: | 2-oxoglutarate dehydrogenase E1/E2 component, ACETYL COENZYME *A, MAGNESIUM ION, ... | | Authors: | Yang, L, Mechaly, A.M, Bellinzoni, M. | | Deposit date: | 2023-05-24 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (2.07 Å) | | Cite: | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
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8P5R
 | | Crystal structure of full-length, homohexameric 2-oxoglutarate dehydrogenase KGD from Mycobacterium smegmatis in complex with GarA | | Descriptor: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | | Authors: | Wagner, T, Mechaly, A.M, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2023-05-24 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (4.562 Å) | | Cite: | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
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