1ZYJ
 
 | | Human P38 MAP Kinase in Complex with Inhibitor 1a | | Descriptor: | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Karpusas, M, Michelotti, E.L, Springman, E.B. | | Deposit date: | 2005-06-10 | | Release date: | 2005-11-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
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1ZZ2
 | | Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes | | Descriptor: | Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside | | Authors: | Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M. | | Deposit date: | 2005-06-13 | | Release date: | 2005-10-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
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2HOG
 | | crystal structure of Chek1 in complex with inhibitor 20 | | Descriptor: | (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL, Serine/threonine-protein kinase Chk1 | | Authors: | Yan, Y, Ikuta, M. | | Deposit date: | 2006-07-14 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.
Bioorg.Med.Chem.Lett., 16, 2006
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2ACV
 | | Crystal Structure of Medicago truncatula UGT71G1 | | Descriptor: | URIDINE-5'-DIPHOSPHATE, triterpene UDP-glucosyl transferase UGT71G1 | | Authors: | Shao, H, He, X, Achnine, L, Blount, J.W, Dixon, R.A, Wang, X. | | Deposit date: | 2005-07-19 | | Release date: | 2005-11-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of a Multifunctional Triterpene/Flavonoid Glycosyltransferase from Medicago truncatula.
Plant Cell, 17, 2005
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2A0I
 | | F Factor TraI Relaxase Domain bound to F oriT Single-stranded DNA | | Descriptor: | F plasmid single-stranded oriT DNA, IMIDAZOLE, MAGNESIUM ION, ... | | Authors: | Larkin, C, Datta, S, Harley, M.J, Anderson, B.J, Ebie, A, Hargreaves, V, Schildbach, J.F. | | Deposit date: | 2005-06-16 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Inter- and intramolecular determinants of the specificity of single-stranded DNA binding and cleavage by the f factor relaxase.
Structure, 13, 2005
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2I0H
 | | The structure of p38alpha in complex with an arylpyridazinone | | Descriptor: | 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE, GLYCEROL, Mitogen-activated protein kinase 14 | | Authors: | Natarajan, S.R, Heller, S.T, Nam, K, Singh, S.B, Scapin, G, Patel, S, Thompson, J.E, Fitzgerald, C.E, O'Keefe, S.J. | | Deposit date: | 2006-08-10 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | p38 MAP Kinase Inhibitors Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design.
Bioorg.Med.Chem.Lett., 16, 2006
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2ACW
 | | Crystal Structure of Medicago truncatula UGT71G1 complexed with UDP-glucose | | Descriptor: | URIDINE-5'-DIPHOSPHATE-GLUCOSE, triterpene UDP-glucosyl transferase UGT71G1 | | Authors: | Shao, H, He, X, Achnine, L, Blount, J.W, Dixon, R.A, Wang, X. | | Deposit date: | 2005-07-19 | | Release date: | 2005-11-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of a Multifunctional Triterpene/Flavonoid Glycosyltransferase from Medicago truncatula.
Plant Cell, 17, 2005
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2AUN
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1XJA
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1YVJ
 | | Crystal structure of the Jak3 kinase domain in complex with a staurosporine analogue | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Tyrosine-protein kinase JAK3 | | Authors: | Boggon, T.J, Li, Y, Manley, P.W, Eck, M.J. | | Deposit date: | 2005-02-15 | | Release date: | 2005-05-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of the Jak3 kinase domain in complex with a staurosporine analog
Blood, 106, 2005
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2LGC
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8S3E
 | | Structure of rabbit Slo1 in complex with gamma1/LRRC26 | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ... | | Authors: | Redhardt, M, Raunser, S, Raisch, T. | | Deposit date: | 2024-02-20 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Cryo-EM structure of the Slo1 potassium channel with the auxiliary gamma 1 subunit suggests a mechanism for depolarization-independent activation.
Febs Lett., 598, 2024
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7NQC
 | | Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane targeting motifs | | Descriptor: | CALCIUM ION, Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF, ... | | Authors: | Chamberlain, S.G, Owen, D, Mott, H.R. | | Deposit date: | 2021-03-01 | | Release date: | 2021-09-22 | | Method: | SOLUTION NMR | | Cite: | Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane-targeting motifs.
Proc.Natl.Acad.Sci.USA, 118, 2021
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3E90
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2D4J
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4JG9
 | | X-ray Crystal Structure of a Putative Lipoprotein from Bacillus anthracis | | Descriptor: | Lipoprotein | | Authors: | Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-02-28 | | Release date: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (2.425 Å) | | Cite: | X-ray Crystal Structure of a Putative Lipoprotein from Bacillus anthracis
To be Published
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7NEP
 | | Homology model of the in situ actomyosin complex from the A-band of mouse psoas muscle sarcomere in the rigor state | | Descriptor: | Actin, alpha skeletal muscle, Myosin light chain 1/3, ... | | Authors: | Wang, Z, Grange, M, Wagner, T, Kho, A.L, Gautel, M, Raunser, S. | | Deposit date: | 2021-02-04 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (10.2 Å) | | Cite: | The molecular basis for sarcomere organization in vertebrate skeletal muscle.
Cell, 184, 2021
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2CVF
 | | Crystal structure of the RadB recombinase | | Descriptor: | DNA repair and recombination protein radB | | Authors: | Akiba, T, Ishii, N, Rashid, N, Morikawa, M, Imanaka, T, Harata, K. | | Deposit date: | 2005-06-03 | | Release date: | 2005-08-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of RadB recombinase from a hyperthermophilic archaeon, Thermococcus kodakaraensis KOD1: an implication for the formation of a near-7-fold helical assembly
Nucleic Acids Res., 33, 2005
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7NKG
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3NWW
 | | P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor | | Descriptor: | 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2010-07-12 | | Release date: | 2010-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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2FQ1
 | | Crystal structure of the two-domain non-ribosomal peptide synthetase EntB containing isochorismate lyase and aryl-carrier protein domains | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Isochorismatase, ... | | Authors: | Drake, E.J, Nicolai, D.A, Gulick, A.M. | | Deposit date: | 2006-01-17 | | Release date: | 2006-05-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the EntB multidomain nonribosomal peptide synthetase and functional analysis of its interaction with the EntE adenylation domain.
Chem.Biol., 13, 2006
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3MVL
 | | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K | | Descriptor: | 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2010-05-04 | | Release date: | 2010-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
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7NKZ
 | | Cryo-EM structure of the cytochrome bd oxidase from M. tuberculosis at 2.5 A resolution | | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, HEME B/C, MENAQUINONE-9, ... | | Authors: | Safarian, S, Wu, D, Krause, K.L, Michel, H. | | Deposit date: | 2021-02-19 | | Release date: | 2021-09-22 | | Last modified: | 2021-09-29 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | The cryo-EM structure of the bd oxidase from M. tuberculosis reveals a unique structural framework and enables rational drug design to combat TB.
Nat Commun, 12, 2021
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7NF8
 | | Ovine (b0,+AT-rBAT)2 hetero-tetramer, asymmetric unit, rigid-body fitted | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lee, Y, Kuehlbrandt, W. | | Deposit date: | 2021-02-05 | | Release date: | 2022-01-19 | | Last modified: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria.
Nat Commun, 13, 2022
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7NF7
 | | Ovine rBAT ectodomain homodimer, asymmetric unit | | 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: | Lee, Y, Kuehlbrandt, W. | | Deposit date: | 2021-02-05 | | Release date: | 2022-01-19 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria.
Nat Commun, 13, 2022
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