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4LKL
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BU of 4lkl by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-55
分子名称: ADAMANTANE, PL-55, Serine/threonine-protein kinase PLK1
著者Lee, W.C, Song, J.H, Kim, H.Y.
登録日2013-07-08
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1
Plos One, 8, 2013
5WR6
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BU of 5wr6 by Molmil
Thermolysin, liganded form with cryo condition 2
分子名称: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ...
著者Kunishima, N, Naitow, H, Matsuura, Y.
登録日2016-11-29
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
3TLH
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BU of 3tlh by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITHAN EFFICIENT INHIBITOR OF FIV PR
分子名称: PROTEIN (PROTEASE), benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
著者Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
登録日1998-12-03
公開日1998-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
7D16
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BU of 7d16 by Molmil
NERP-2 in a DPC solution
分子名称: Neurosecretory protein VGF
著者Park, O, Cheong, C, Jeon, Y.
登録日2020-09-13
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of neuroendocrine regulatory peptide-2 in membrane-mimicking environments.
Peptide Science, 2020
5WR3
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BU of 5wr3 by Molmil
Thermolysin, SFX liganded form with water-based carrier
分子名称: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ...
著者Kunishima, N, Naitow, H, Matsuura, Y.
登録日2016-11-29
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
7D13
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BU of 7d13 by Molmil
NERP-2 in a HFIP solution
分子名称: Neurosecretory protein VGF
著者Park, O, Cheong, C, Jeon, Y.
登録日2020-09-13
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of neuroendocrine regulatory peptide-2 in membrane-mimicking environments.
Peptide Science, 2020
6BKD
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BU of 6bkd by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3D
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab AR3D heavy chain, Fab AR3D light chain, ...
著者Tzarum, N, Wilson, I.A, Law, M.
登録日2017-11-08
公開日2018-12-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies.
Sci Adv, 5, 2019
7KPG
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BU of 7kpg by Molmil
Blocking Fab 25 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Heavy chain of Fab 25 anti-SIRP-alpha antibody, Light chain of Fab 25 anti-SIRP-alpha antibody, SULFATE ION, ...
著者Sim, J, Pons, J.
登録日2020-11-11
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Targeting the myeloid checkpoint receptor SIRP alpha potentiates innate and adaptive immune responses to promote anti-tumor activity.
J Hematol Oncol, 13, 2020
3KRR
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BU of 3krr by Molmil
Crystal Structure of JAK2 complexed with a potent quinoxaline ATP site inhibitor
分子名称: 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, Tyrosine-protein kinase JAK2
著者Tavares, G.A, Gerspacher, M, Kroemer, M, Scheufler, C.
登録日2009-11-19
公開日2010-07-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent and Selective Inhibition of Polycythemia by the Quinoxaline JAK2 Inhibitor NVP-BSK805
Mol.Cancer Ther., 9, 2010
2GU8
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BU of 2gu8 by Molmil
Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies
分子名称: CAMP-dependent protein kinase, alpha-catalytic subunit, N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE, ...
著者Murray, J.M.
登録日2006-04-28
公開日2007-05-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies
Bioorg.Med.Chem.Lett., 16, 2006
3HJP
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BU of 3hjp by Molmil
The crystal structure of Bcp4 from Sulfolobus Solfataricus
分子名称: CHLORIDE ION, Peroxiredoxin, bacterioferritin comigratory protein homolog (Bcp-4)
著者D'Ambrosio, K, De Simone, G.
登録日2009-05-22
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Exploring the catalytic mechanism of the first dimeric Bcp: functional, structural and docking analysis
To be Published
7WBN
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BU of 7wbn by Molmil
PDB structure of RevCC
分子名称: RevCC
著者Han, S, Kim, D, Kaur, M, Lim, Y.B, Barnwal, R.P.
登録日2021-12-17
公開日2022-10-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Pseudo-Isolated alpha-Helix Platform for the Recognition of Deep and Narrow Targets.
J.Am.Chem.Soc., 144, 2022
4GJB
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BU of 4gjb by Molmil
Crystal structure of renin in complex with NVP-BBV031 (compound 6)
分子名称: (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ...
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2012-08-09
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
5KXU
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BU of 5kxu by Molmil
Structure Proteinase K determined by SACLA
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M.
登録日2016-07-20
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Atomic resolution structure of serine protease proteinase K at ambient temperature.
Sci Rep, 7, 2017
5KXV
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BU of 5kxv by Molmil
Structure Proteinase K at 0.98 Angstroms
分子名称: CALCIUM ION, GLYCEROL, NITRATE ION, ...
著者Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M.
登録日2016-07-20
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic resolution structure of serine protease proteinase K at ambient temperature.
Sci Rep, 7, 2017
7CJI
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BU of 7cji by Molmil
Photosystem II structure in the S1 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Shen, J.-R, Suga, M.
登録日2020-07-11
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
7CJJ
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BU of 7cjj by Molmil
Photosystem II structure in the S2 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Shen, J.-R, Suga, M.
登録日2020-07-11
公開日2021-04-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
7COU
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BU of 7cou by Molmil
Structure of cyanobacterial photosystem II in the dark S1 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Shen, J.-R, Suga, M.
登録日2020-08-05
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
3LPB
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BU of 3lpb by Molmil
Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor
分子名称: N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2
著者Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M.
登録日2010-02-05
公開日2010-04-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
5B34
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BU of 5b34 by Molmil
Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with Iodine-labeled Detergent HAD13a Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA
分子名称: 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid, Bacteriorhodopsin, DECANE, ...
著者Mizohata, E, Nakane, T.
登録日2016-02-10
公開日2016-11-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent
Proc.Natl.Acad.Sci.USA, 113, 2016
3PJC
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BU of 3pjc by Molmil
Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity within the Janus kinase family
分子名称: 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione, Tyrosine-protein kinase JAK3
著者Tavares, G.A, Thoma, G, Zerwes, H.-G, Kroemer, M.
登録日2010-11-09
公開日2010-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of a Potent Janus Kinase 3 Inhibitor with High Selectivity within the Janus Kinase Family.
J.Med.Chem., 54, 2011
8RI2
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BU of 8ri2 by Molmil
Crystal structure of NLRP3 in complex with inhibitor NP3-562
分子名称: 2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide, ADENOSINE-5'-DIPHOSPHATE, NACHT, ...
著者Dekker, C.
登録日2023-12-18
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors.
J.Med.Chem., 67, 2024
7YNH
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BU of 7ynh by Molmil
Catalytic intermediate of copper amine oxidase determined by serial femtosecond X-ray crystallography using a single-flow liquid jet system
分子名称: COPPER (II) ION, PHENYLACETALDEHYDE, Phenylethylamine oxidase, ...
著者Murakawa, T, Okajima, T.
登録日2022-07-31
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Serial femtosecond X-ray crystallography of an anaerobically formed catalytic intermediate of copper amine oxidase.
Acta Crystallogr D Struct Biol, 78, 2022
7JRI
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High-resolution Crystal Structures of Transient Intermediates in the Phytochrome Photocycle, 33 ms structure
分子名称: 3-[2-[[5-[[(3E,4S)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, BENZAMIDINE, Photoreceptor-histidine kinase BphP
著者Schmidt, M, Stojkovic, E.
登録日2020-08-12
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High-resolution crystal structures of transient intermediates in the phytochrome photocycle.
Structure, 29, 2021
5B35
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Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA
分子名称: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, Bacteriorhodopsin, DECANE, ...
著者Mizohata, E, Nakane, T, Suzuki, M.
登録日2016-02-10
公開日2016-11-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent
Proc.Natl.Acad.Sci.USA, 113, 2016

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