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6OZ5
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BU of 6oz5 by Molmil
Escherichia coli tRNA synthetase in complex with compound 3
Descriptor: 1,2-ETHANEDIOL, 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ...
Authors:Kahne, D, Baidin, V, Owens, T.W.
Deposit date:2019-05-15
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
1NQP
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BU of 1nqp by Molmil
Crystal structure of Human hemoglobin E at 1.73 A resolution
Descriptor: CYANIDE ION, Hemoglobin alpha chain, Hemoglobin beta chain, ...
Authors:Dasgupta, J, Sen, U, Choudhury, D, Dutta, P, Basu, S, Chakrabarti, A, Chakrabarty, A, Dattagupta, J.K.
Deposit date:2003-01-22
Release date:2004-03-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystallization and preliminary X-ray structural Studies of Hemoglobin A2 and Hemoglobin E, isolated from the blood samples of Beta-thalassemic patients
Biochem.Biophys.Res.Commun., 303, 2004
5MQV
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BU of 5mqv by Molmil
Crystal structure of human Casein Kinase I delta in complex with 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide
Descriptor: 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide, Casein kinase I isoform delta, PHOSPHATE ION
Authors:Pichlo, C, Brunstein, E, Baumann, U.
Deposit date:2016-12-20
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
7Q4R
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BU of 7q4r by Molmil
Crystal structure of human HSP72-NBD in complex with fragment 1
Descriptor: 4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide, Heat shock 70 kDa protein 1A, MAGNESIUM ION, ...
Authors:Le Bihan, Y.V, Westwood, I.M, van Montfort, R.L.M.
Deposit date:2021-11-02
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70.
Molecules, 27, 2022
7JU4
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BU of 7ju4 by Molmil
Radial spoke 2 stalk, IDAc, and N-DRC attached with doublet microtubule
Descriptor: 28 kDa inner dynein arm light chain, axonemal, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A.
Deposit date:2020-08-19
Release date:2020-12-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of radial spokes and associated complexes important for ciliary motility.
Nat.Struct.Mol.Biol., 28, 2021
6P8T
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BU of 6p8t by Molmil
Acinetobacter baumannii tRNA synthetase in complex with compound 1
Descriptor: MAGNESIUM ION, N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, ...
Authors:Kahne, D, Baidin, V, Owens, T.W.
Deposit date:2019-06-07
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
6O4M
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BU of 6o4m by Molmil
Racemic melittin
Descriptor: D-Melittin, Melittin, SULFATE ION
Authors:Kurgan, K.W, Bingman, C.A, Gellman, S.H, Forest, K.T.
Deposit date:2019-02-28
Release date:2019-05-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Retention of Native Quaternary Structure in Racemic Melittin Crystals.
J.Am.Chem.Soc., 141, 2019
6SKG
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BU of 6skg by Molmil
Cryo-EM Structure of T. kodakarensis 70S ribosome in TkNat10 deleted strain
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Matzov, D, Sas-Chen, A, Thomas, J.M, Santangelo, T, Meier, J.L, Schwartz, S, Shalev-Benami, M.
Deposit date:2019-08-15
Release date:2020-07-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Dynamic RNA acetylation revealed by quantitative cross-evolutionary mapping.
Nature, 583, 2020
2HW4
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BU of 2hw4 by Molmil
Crystal structure of human phosphohistidine phosphatase
Descriptor: 14 kDa phosphohistidine phosphatase, FORMIC ACID
Authors:Busam, R.D, Thorsell, A.G, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Holmberg Schiavone, L, Hogbom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Stenmark, P, Sundstrom, M, Uppenberg, J, Van Den Berg, S, Weigelt, J, Persson, C, Hallberg, B.M, Structural Genomics Consortium (SGC)
Deposit date:2006-07-31
Release date:2006-08-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:First structure of a eukaryotic phosphohistidine phosphatase
J.Biol.Chem., 281, 2006
6GVH
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BU of 6gvh by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-4-chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine
Descriptor: 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F.
Deposit date:2018-06-21
Release date:2019-10-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
7JTS
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BU of 7jts by Molmil
Stalk of radial spoke 1 attached with doublet microtubule from Chlamydomonas reinhardtii
Descriptor: Calmodulin, Dynein 8 kDa light chain, flagellar outer arm, ...
Authors:Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A.
Deposit date:2020-08-18
Release date:2020-12-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structures of radial spokes and associated complexes important for ciliary motility.
Nat.Struct.Mol.Biol., 28, 2021
6PEO
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BU of 6peo by Molmil
Cryo-EM structure of alpha-synuclein H50Q Narrow Fibril
Descriptor: Alpha-synuclein
Authors:Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S.
Deposit date:2019-06-20
Release date:2019-11-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
7JTK
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BU of 7jtk by Molmil
Radial spoke 1 isolated from Chlamydomonas reinhardtii
Descriptor: Cytochrome b5 heme-binding domain-containing protein, Dynein 8 kDa light chain, flagellar outer arm, ...
Authors:Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A.
Deposit date:2020-08-17
Release date:2020-12-16
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of radial spokes and associated complexes important for ciliary motility.
Nat.Struct.Mol.Biol., 28, 2021
6CKX
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BU of 6ckx by Molmil
Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ...
Authors:Klein, M.G.
Deposit date:2018-03-01
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
J. Med. Chem., 61, 2018
4M41
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BU of 4m41 by Molmil
RB69 DNA polymerase ternary complex with dG/dT at position n-3 of primer/tempLate duplex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Konigsberg, W.H.
Deposit date:2013-08-06
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant.
Protein Sci., 23, 2014
6SKX
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BU of 6skx by Molmil
Structure of Reductive Aminase from Neosartorya fumigata
Descriptor: Oxidoreductase, putative
Authors:Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G.
Deposit date:2019-08-16
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases.
Chem Sci, 11, 2020
4M3Z
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BU of 4m3z by Molmil
RB69 DNA polymerase ternary complex with dG/dT at position n-2 of primer/tempLate duplex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Konigsberg, W.H.
Deposit date:2013-08-06
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant.
Protein Sci., 23, 2014
4M3R
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BU of 4m3r by Molmil
RB69 DNA polymerase ternary complex with dT/dG at position n-1 of primer/template duplex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Konigsberg, W.H.
Deposit date:2013-08-06
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant.
Protein Sci., 23, 2014
4M45
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BU of 4m45 by Molmil
RB69 DNA polymerase ternary complex with dG/dT at position n-5 of primer/template duplex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Konigsberg, W.H.
Deposit date:2013-08-06
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant.
Protein Sci., 23, 2014
7VGM
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BU of 7vgm by Molmil
Crystal structure of Phenylalanine hydroxylase from Bacillus cereus ATCC 14579
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Park, J, Kim, K.-J.
Deposit date:2021-09-17
Release date:2022-04-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural studies of a novel auxiliary-domain-containing phenylalanine hydroxylase from Bacillus cereus ATCC 14579.
Acta Crystallogr D Struct Biol, 78, 2022
4M3T
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BU of 4m3t by Molmil
RB69 DNA polymerase ternary complex with dT/dG at position n-2 of primer/template duplex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Konigsberg, W.H.
Deposit date:2013-08-06
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mispairs with Watson-Crick base-pair geometry observed in ternary complexes of an RB69 DNA polymerase variant.
Protein Sci., 23, 2014
1TGS
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BU of 1tgs by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN PANCREATIC SECRETORY INHIBITOR (KAZAL TYPE) AND TRYPSINOGEN AT 1.8 ANGSTROMS RESOLUTION. STRUCTURE SOLUTION, CRYSTALLOGRAPHIC REFINEMENT AND PRELIMINARY STRUCTURAL INTERPRETATION
Descriptor: CALCIUM ION, PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE), SULFATE ION, ...
Authors:Bolognesi, M, Gatti, G, Menegatti, E, Guarneri, M, Marquart, M, Papamokos, E, Huber, R.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of the complex between pancreatic secretory trypsin inhibitor (Kazal type) and trypsinogen at 1.8 A resolution. Structure solution, crystallographic refinement and preliminary structural interpretation.
J.Mol.Biol., 162, 1982
5US3
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BU of 5us3 by Molmil
Heterogeneous-backbone Foldamer Mimic of the Sp1-3 Zinc Finger
Descriptor: Heterogeneous-Backbone Variant of the Sp1-3 Zinc Finger: N-Me-Ala3, N-Me-Arg10, beta-3-Asp15, ...
Authors:George, K.L, Horne, W.S.
Deposit date:2017-02-13
Release date:2017-05-31
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:Heterogeneous-Backbone Foldamer Mimics of Zinc Finger Tertiary Structure.
J. Am. Chem. Soc., 139, 2017
6J5L
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BU of 6j5l by Molmil
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10e
Descriptor: High affinity nerve growth factor receptor, N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
Authors:Kensuke, A, Kazutaka, I.
Deposit date:2019-01-11
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain.
Bioorg.Med.Chem.Lett., 29, 2019
3QSL
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BU of 3qsl by Molmil
Structure of CAE31940 from Bordetella bronchiseptica RB50
Descriptor: CITRIC ACID, Putative exported protein
Authors:Bajor, J, Kagan, O, Chruszcz, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-02-21
Release date:2011-03-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of pyrimidine/thiamin biosynthesis precursor-like domain-containing protein CAE31940 from proteobacterium Bordetella bronchiseptica RB50, and evolutionary insight into the NMT1/THI5 family.
J Struct Funct Genomics, 15, 2014

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