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2QXW
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BU of 2qxw by Molmil
Perdeuterated alr2 in complex with idd594
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O, Cousido-Siah, A, Joachimiak, A, Myles, D, Podjarny, A.
登録日2007-08-13
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1MKM
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BU of 1mkm by Molmil
CRYSTAL STRUCTURE OF THE THERMOTOGA MARITIMA ICLR
分子名称: FORMIC ACID, IclR transcriptional regulator, ZINC ION
著者Kim, Y, Zhang, R.G, Joachimiak, A, Skarina, T, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2002-08-29
公開日2002-09-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Thermotoga maritima 0065, a member of the IclR transcriptional factor family.
J.Biol.Chem., 277, 2002
2K4C
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BU of 2k4c by Molmil
tRNAPhe-based homology model for tRNAVal refined against base N-H RDCs in two media and SAXS data
分子名称: 76-MER
著者Grishaev, A, Ying, J, Canny, M.D, Pardi, A, Bax, A.
登録日2008-06-04
公開日2008-12-09
最終更新日2024-05-01
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Solution structure of tRNAVal from refinement of homology model against residual dipolar coupling and SAXS data.
J.Biomol.Nmr, 42, 2008
1MKZ
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BU of 1mkz by Molmil
Crystal structure of MoaB protein at 1.6 A resolution.
分子名称: ACETIC ACID, Molybdenum cofactor biosynthesis protein B, SULFATE ION
著者Sanishvili, R, Skarina, T, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2002-08-29
公開日2003-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of Escherichia coli MoaB suggests a probable role in molybdenum cofactor synthesis.
J.Biol.Chem., 279, 2004
1W82
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BU of 1w82 by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA
著者Tickle, J, Jhoti, H, Cleasby, A, Devine, L.
登録日2004-09-16
公開日2005-02-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
2KZR
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BU of 2kzr by Molmil
Solution NMR Structure of Ubiquitin thioesterase OTU1 (EC 3.1.2.-) from Mus musculus, Northeast Structural Genomics Consortium Target MmT2A
分子名称: Ubiquitin thioesterase OTU1
著者Chitayat, S, Gutmanas, A, Lemak, A, Yee, A, Bezsonova, I, Wu, B, Doherty, R.S, Semesi, A, Montelione, G.T, Arrowsmith, C.H, Dhe-Paganon, S, Northeast Structural Genomics Consortium (NESG)
登録日2010-06-23
公開日2010-07-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target MmT2A
To be Published
2LF0
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BU of 2lf0 by Molmil
Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scattering, NESG target SfR339/OCSP target sf3636
分子名称: Uncharacterized protein yibL
著者Wu, B, Lemak, A, Yee, A, Lee, H, Gutmanas, A, Semesi, A, Garcia, M, Fang, X, Wang, Y, Prestegard, J.H, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
登録日2011-06-27
公開日2011-07-13
最終更新日2024-05-15
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scattering
To be Published
2FAM
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BU of 2fam by Molmil
X-RAY CRYSTAL STRUCTURE OF FERRIC APLYSIA LIMACINA MYOGLOBIN IN DIFFERENT LIGANDED STATES
分子名称: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
著者Conti, E, Moser, C, Rizzi, M, Mattevi, A, Lionetti, C, Coda, A, Ascenzi, P, Brunori, M, Bolognesi, M.
登録日1993-07-20
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystal structure of ferric Aplysia limacina myoglobin in different liganded states.
J.Mol.Biol., 233, 1993
2FAL
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BU of 2fal by Molmil
X-RAY CRYSTAL STRUCTURE OF FERRIC APLYSIA LIMACINA MYOGLOBIN IN DIFFERENT LIGANDED STATES
分子名称: CYANIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
著者Conti, E, Moser, C, Rizzi, M, Mattevi, A, Lionetti, C, Coda, A, Ascenzi, P, Brunori, M, Bolognesi, M.
登録日1993-06-14
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of ferric Aplysia limacina myoglobin in different liganded states.
J.Mol.Biol., 233, 1993
2LF3
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BU of 2lf3 by Molmil
Solution NMR structure of HopPmaL_281_385 from Pseudomonas syringae pv. maculicola str. ES4326, Midwest Center for Structural Genomics target APC40104.5 and Northeast Structural Genomics Consortium target PsT2A
分子名称: Effector protein hopAB3
著者Wu, B, Yee, A, Houliston, S, Semesi, A, Garcia, M, Singer, A.U, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP)
登録日2011-06-28
公開日2011-07-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Analysis of HopPmaL Reveals the Presence of a Second Adaptor Domain Common to the HopAB Family of Pseudomonas syringae Type III Effectors.
Biochemistry, 51, 2012
7OND
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BU of 7ond by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
分子名称: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Stein, A, Liang, A.D.
登録日2021-05-25
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
4C90
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BU of 4c90 by Molmil
Evidence that GH115 alpha-glucuronidase activity is dependent on conformational flexibility
分子名称: ALPHA-GLUCURONIDASE GH115, SODIUM ION
著者Rogowski, A, Basle, A, Farinas, C.S, Solovyova, A, Mortimer, J.C, Dupree, P, Gilbert, H.J, Bolam, D.N.
登録日2013-10-02
公開日2013-11-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Evidence that Gh115 Alpha-Glucuronidase Activity is Dependent on Conformational Flexibility
J.Biol.Chem., 289, 2014
7YC6
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BU of 7yc6 by Molmil
Crystal structure of D110P mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
分子名称: GMP synthase [glutamine-hydrolyzing] subunit A, ZINC ION
著者Chandrashekarmath, A, Bellur, A.
登録日2022-06-30
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of D110P mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
2YAV
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BU of 2yav by Molmil
ZN INHIBITED SULFUR OXYGENASE REDUCTASE
分子名称: ACETATE ION, CHLORIDE ION, FE (III) ION, ...
著者Veith, A, Urich, T, Seyfarth, K, Protze, J, Frazao, C, Kletzin, A.
登録日2011-02-25
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Substrate Pathways and Mechanisms of Inhibition in the Sulfur Oxygenase Reductase of Acidianus Ambivalens.
Front.Microbiol., 2, 2011
4CDD
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BU of 4cdd by Molmil
Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide
分子名称: (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
登録日2013-10-31
公開日2014-03-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
7OO4
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BU of 7oo4 by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
分子名称: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase
著者Stein, A, Liang, A.D.
登録日2021-05-26
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
5X7S
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BU of 5x7s by Molmil
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase, terbium derivative
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
登録日2017-02-27
公開日2017-07-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
4CDE
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BU of 4cde by Molmil
Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE, CHLORIDE ION, ...
著者Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
登録日2013-10-31
公開日2014-03-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
5XAN
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BU of 5xan by Molmil
Crystal structure of SecDF in I form (P212121 space group)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POLYETHYLENE GLYCOL (N=34), Protein translocase subunit SecD
著者Tsukazaki, T, Tanaka, Y, Furukwa, A.
登録日2017-03-14
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Tunnel Formation Inferred from the I-Form Structures of the Proton-Driven Protein Secretion Motor SecDF
Cell Rep, 19, 2017
5XBP
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BU of 5xbp by Molmil
Oxygenase component of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2
分子名称: 3NT oxygenase alpha subunit, 3NT oxygenase beta subunit, FE (III) ION, ...
著者Ramaswamy, S, Kumari, A, Singh, D, Gurunath, R.
登録日2017-03-21
公開日2017-04-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and functional studies of ferredoxin and oxygenase components of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2.
PLoS ONE, 12, 2017
7OSD
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BU of 7osd by Molmil
NMR Solution Structure of Peptide 12: First-in-class cyclic Temporin L analogue with antibacterial and antibiofilm activities
分子名称: PHE-VAL-PRO-TRP-PHE-LYS-LYS-PHE-DLE-GLU-ARG-ILE-LEU-NH2
著者Brancaccio, D, Carotenuto, A.
登録日2021-06-08
公開日2021-08-11
最終更新日2021-08-25
実験手法SOLUTION NMR
主引用文献First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment.
J.Med.Chem., 64, 2021
7OS8
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BU of 7os8 by Molmil
NMR SOLUTION STRUCTURE OF [Pro3,DLeu9]TL
分子名称: PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2
著者Brancaccio, D, Carotenuto, A.
登録日2021-06-08
公開日2021-08-11
最終更新日2021-08-25
実験手法SOLUTION NMR
主引用文献First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment.
J.Med.Chem., 64, 2021
5R4M
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BU of 5r4m by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000513a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献PanDDA analysis group deposition
To Be Published
8UTK
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BU of 8utk by Molmil
IL-23R minibinder - 23R-B04dslf02IB
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 23R-B04dslf02IB, ...
著者Bera, A.K, Berger, S.A, Kang, A, Baker, D.
登録日2023-10-31
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Preclinical proof of principle for orally delivered Th17 antagonist miniproteins.
Cell, 2024
2LF6
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BU of 2lf6 by Molmil
Solution NMR structure of HopABPph1448_220_320 from Pseudomonas syringae pv. phaseolicola str. 1448A, Midwest Center for Structural Genomics target APC40132.4 and Northeast Structural Genomics Consortium target PsT3A
分子名称: Effector protein hopAB1
著者Wu, B, Yee, A, Houliston, S, Semesi, A, Garcia, M, Singer, A.U, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP)
登録日2011-06-28
公開日2011-07-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Analysis of HopPmaL Reveals the Presence of a Second Adaptor Domain Common to the HopAB Family of Pseudomonas syringae Type III Effectors.
Biochemistry, 51, 2012

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