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6VBC
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BU of 6vbc by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041
分子名称: Probable peptidoglycan D,D-transpeptidase PenA
著者Singh, A, Davies, C.
登録日2019-12-18
公開日2020-04-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
7AL2
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BU of 7al2 by Molmil
Cell division protein SepF from Methanobrevibacter smithii in complex with FtsZ-CTD
分子名称: Cell division protein FtsZ, Cell division protein SepF
著者Sogues, A, Wehenkel, A.M, Alzari, P.M.
登録日2020-10-04
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献SepF is the FtsZ anchor in archaea, with features of an ancestral cell division system.
Nat Commun, 12, 2021
7AL1
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BU of 7al1 by Molmil
Cell division protein SepF from Methanobrevibacter smithii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein SepF
著者Sogues, A, wehenkel, A.M, Alzari, P.M.
登録日2020-10-04
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献SepF is the FtsZ anchor in archaea, with features of an ancestral cell division system.
Nat Commun, 12, 2021
5FMM
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BU of 5fmm by Molmil
crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza a virus polymerase PB2 subunit bound to M7GTP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, CITRATE ANION, INFLUENZA A PB2 SUBUNIT
著者Thierry, E, Pflug, A, Hart, D, Cusack, S.
登録日2015-11-06
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
1JI0
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BU of 1ji0 by Molmil
Crystal Structure Analysis of the ABC transporter from Thermotoga maritima
分子名称: ABC transporter, ADENOSINE-5'-TRIPHOSPHATE
著者Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Beasley, S, Midwest Center for Structural Genomics (MCSG)
登録日2001-06-28
公開日2002-08-14
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The 2.0 A Crystal Structure of ABC Transporter from Thermotoga maritima
TO BE PUBLISHED
7AWF
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BU of 7awf by Molmil
The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
分子名称: (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F.
登録日2020-11-07
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
7AOU
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BU of 7aou by Molmil
The Fk1 domain of FKBP51 in complex with (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone
分子名称: (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F.
登録日2020-10-15
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
5FXE
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BU of 5fxe by Molmil
Crystal structure of eugenol oxidase in complex with coniferyl alcohol
分子名称: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, EUGENOL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Nguyen, Q.-T, de Gonzalo, G, Binda, C, Martinez, A.R, Mattevi, A, Fraaije, M.W.
登録日2016-03-01
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biocatalytic Properties and Structural Analysis of Eugenol Oxidase from Rhodococcus Jostii Rha1: A Versatile Oxidative Biocatalyst.
Chembiochem, 17, 2016
6S90
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BU of 6s90 by Molmil
BTK in complex with an inhibitor
分子名称: 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide, Tyrosine-protein kinase BTK
著者Gutmann, S, Hinniger, A.
登録日2019-07-11
公開日2019-09-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation.
Acs Med.Chem.Lett., 10, 2019
6YEF
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BU of 6yef by Molmil
70S initiation complex with assigned rRNA modifications from Staphylococcus aureus
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S11, ...
著者Fatkhullin, B, Golubev, A, Khusainov, I, Yusupova, G, Yusupov, M.
登録日2020-03-24
公開日2021-01-27
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of the ribosome functional complex of the human pathogen Staphylococcus aureus at 3.2 angstrom resolution.
Febs Lett., 594, 2020
5FR9
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BU of 5fr9 by Molmil
Structure of transaminase ATA-117 arRmut11 from Arthrobacter sp. KNK168 inhibited with 1-(4-Bromophenyl)-2-fluoroethylamine
分子名称: (R)-AMINE TRANSAMINASE, [4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate
著者Cuetos, A, Kroutil, W, Lavandera, I, Grogan, G.
登録日2015-12-16
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Catalytic Promiscuity of Transaminases: Preparation of Enantioenriched Beta-Fluoroamines by Formal Tandem Hydrodefluorination/Deamination.
Angew.Chem.Int.Ed.Engl., 55, 2016
5FP1
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BU of 5fp1 by Molmil
Crystal structure of the siderophore receptor PiuA from Acinetobacter baumannii
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PHOSPHATE ION, TONB-DEPENDENT SIDEROPHORE RECEPTOR
著者Moynie, L, Tortajada, A, Naismith, J.H.
登録日2015-11-26
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Antimicrob. Agents Chemother., 61, 2017
3AH1
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BU of 3ah1 by Molmil
HA1 subcomponent of botulinum type C progenitor toxin complexed with N-acetylneuramic acid
分子名称: Main hemagglutinin component, N-acetyl-beta-neuraminic acid
著者Nakamura, T, Tonozuka, T, Ide, A, Yuzawa, T, Oguma, K, Nishikawa, A.
登録日2010-04-13
公開日2010-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sugar-binding sites of the HA1 subcomponent of Clostridium botulinum type C progenitor toxin
J.Mol.Biol., 376, 2008
6M0Z
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BU of 6m0z by Molmil
X-ray structure of Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in L-norepinephrine bound form
分子名称: Antibody fragment (Fab) 9D5 Light chain, Antibody fragment (Fab) 9D5 heavy chain, CHLORIDE ION, ...
著者Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A.
登録日2020-02-24
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
6YKI
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BU of 6yki by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_092
分子名称: SULFATE ION, YTHDC1, ~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
5C9B
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BU of 5c9b by Molmil
Crystal structure of a retropepsin-like aspartic protease from Rickettsia conorii
分子名称: ApRick protease
著者Li, M, Gustchina, A, Cruz, R, Simoes, M, Curto, P, Martinez, J, Faro, C, Simoes, I, Wlodawer, A.
登録日2015-06-26
公開日2015-10-14
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of RC1339/APRc from Rickettsia conorii, a retropepsin-like aspartic protease.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5FZP
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BU of 5fzp by Molmil
Structure of the dispase autolysis inducing protein from Streptomyces mobaraensis
分子名称: CALCIUM ION, DISPASE AUTOLYSIS-INDUCING PROTEIN, GLYCEROL
著者Schmelz, S, Fiebig, D, Beck, J, Fuchsbauer, H.L, Scrima, A.
登録日2016-03-15
公開日2016-08-10
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase
J.Biol.Chem., 291, 2016
6GQX
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BU of 6gqx by Molmil
KRAS-169 Q61H GPPNHP + CH-2
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6VDB
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BU of 6vdb by Molmil
SETD2 in complex with a H3-variant super-substrate peptide
分子名称: ALA-PRO-ARG-PHE-GLY-GLY-VAL-MET-ARG-PRO-ASN-ARG, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Beldar, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Jeltsch, A, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-12-24
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sequence specificity analysis of the SETD2 protein lysine methyltransferase and discovery of a SETD2 super-substrate.
Commun Biol, 3, 2020
6YQD
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BU of 6yqd by Molmil
Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 1.41 A in P212121 space group
分子名称: Histidine triad nucleotide-binding protein 2, mitochondrial, POTASSIUM ION
著者Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C.
登録日2020-04-16
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.407 Å)
主引用文献Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
1JZY
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BU of 1jzy by Molmil
Structural Basis for the Interaction of Antibiotics with the Peptidyl Transferase Center in Eubacteria
分子名称: 23S rRNA, ERYTHROMYCIN A, MAGNESIUM ION, ...
著者Schluenzen, F, Zarivach, R, Harms, J, Bashan, A, Tocilj, A, Albrecht, R, Yonath, A, Franceschi, F.
登録日2001-09-17
公開日2001-10-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis for the interaction of antibiotics with the peptidyl transferase centre in eubacteria.
Nature, 413, 2001
6YN5
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BU of 6yn5 by Molmil
Inducible lysine decarboxylase LdcI decamer, pH 7.0
分子名称: Inducible lysine decarboxylase
著者Jessop, M, Felix, J, Desfosses, A, Effantin, G, Gutsche, I.
登録日2020-04-10
公開日2021-01-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Supramolecular assembly of the Escherichia coli LdcI upon acid stress.
Proc.Natl.Acad.Sci.USA, 118, 2021
6YN6
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BU of 6yn6 by Molmil
Inducible lysine decarboxylase LdcI stacks, pH 5.7
分子名称: Inducible lysine decarboxylase
著者Felix, J, Jessop, M, Desfosses, A, Effantin, G, Gutsche, I.
登録日2020-04-10
公開日2021-01-13
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Supramolecular assembly of the Escherichia coli LdcI upon acid stress.
Proc.Natl.Acad.Sci.USA, 118, 2021
2WAB
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BU of 2wab by Molmil
Structure of an active site mutant of a family two carbohydrate esterase from Clostridium thermocellum in complex with celluohexase
分子名称: ENDOGLUCANASE E, GLYCEROL, IODIDE ION, ...
著者Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J.
登録日2009-02-04
公開日2009-03-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
5BVN
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BU of 5bvn by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
分子名称: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
著者Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
登録日2015-06-05
公開日2015-08-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015

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