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2PB6
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BU of 2pb6 by Molmil
Crystal structure of PH0725 from Pyrococcus horikoshii OT3
Descriptor: FORMIC ACID, GLYCEROL, Probable diphthine synthase, ...
Authors:Yamamoto, H, Taketa, M, Ono, N, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-28
Release date:2007-10-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of PH0725 from Pyrococcus horikoshii OT3
To be Published
2P6O
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BU of 2p6o by Molmil
Crystal structure of TTHB049 from Thermus thermophilus HB8
Descriptor: Alpha-ribazole-5'-phosphate phosphatase
Authors:Yamamoto, H, Taketa, M, Tanaka, Y, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-19
Release date:2007-09-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of TTHB049 from Thermus thermophilus HB8
To be Published
3D5Q
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BU of 3d5q by Molmil
Crystal Structure of 11b-HSD1 in Complex with Triazole Inhibitor
Descriptor: 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Liu, J, Sudom, A, Walker, N.P.C.
Deposit date:2008-05-16
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1.
Bioorg.Med.Chem., 16, 2008
4P1W
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BU of 4p1w by Molmil
Crystal structure of Atg13(17BR)-Atg17-Atg29-Atg31 complex
Descriptor: Atg13 17BR, Atg17, Atg29, ...
Authors:Fujioka, Y, Noda, N.N.
Deposit date:2014-02-27
Release date:2014-05-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of starvation-induced assembly of the autophagy initiation complex.
Nat.Struct.Mol.Biol., 21, 2014
4P1N
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BU of 4p1n by Molmil
Crystal structure of Atg1-Atg13 complex
Descriptor: Atg1 tMIT, Atg13 MIM
Authors:Fujioka, Y, Noda, N.N.
Deposit date:2014-02-27
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of starvation-induced assembly of the autophagy initiation complex.
Nat.Struct.Mol.Biol., 21, 2014
4RYD
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BU of 4ryd by Molmil
X-ray structure of human furin in complex with the competitive inhibitor para-guanidinomethyl-Phac-R-Tle-R-Amba
Descriptor: CALCIUM ION, FORMIC ACID, Furin, ...
Authors:Dahms, S.O, Than, M.E.
Deposit date:2014-12-15
Release date:2015-05-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Novel Furin Inhibitors with Potent Anti-infectious Activity.
Chemmedchem, 10, 2015
6SWA
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BU of 6swa by Molmil
Mus musculus brain neocortex ribosome 60S bound to Ebp1
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Kraushar, M.L, Sprink, T.
Deposit date:2019-09-20
Release date:2020-09-30
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Protein Synthesis in the Developing Neocortex at Near-Atomic Resolution Reveals Ebp1-Mediated Neuronal Proteostasis at the 60S Tunnel Exit.
Mol.Cell, 81, 2021
7JLQ
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BU of 7jlq by Molmil
cryo-EM structure of human ATG9A in LMNG micelles
Descriptor: Autophagy-related protein 9A
Authors:Maeda, S, Otomo, T.
Deposit date:2020-07-30
Release date:2020-10-28
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure, lipid scrambling activity and role in autophagosome formation of ATG9A.
Nat.Struct.Mol.Biol., 27, 2020
7JLO
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BU of 7jlo by Molmil
Cryo-EM structure of human ATG9A in amphipols
Descriptor: Autophagy-related protein 9A
Authors:Maeda, S, Otomo, T.
Deposit date:2020-07-30
Release date:2020-10-28
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure, lipid scrambling activity and role in autophagosome formation of ATG9A.
Nat.Struct.Mol.Biol., 27, 2020
7JLP
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BU of 7jlp by Molmil
cryo-EM structure of human ATG9A in nanodiscs
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Autophagy-related protein 9A
Authors:Maeda, S, Otomo, T.
Deposit date:2020-07-30
Release date:2020-10-28
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure, lipid scrambling activity and role in autophagosome formation of ATG9A.
Nat.Struct.Mol.Biol., 27, 2020
2D5G
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BU of 2d5g by Molmil
Structure of ubiquitin fold protein R767E mutant
Descriptor: Axin-1, MERCURY (II) ION
Authors:Shibata, N, Higuchi, Y.
Deposit date:2005-11-01
Release date:2006-11-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of ubiquitin fold protein R767E mutant
to be published
3VX8
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BU of 3vx8 by Molmil
Crystal structure of Arabidopsis thaliana Atg7NTD-Atg3 complex
Descriptor: Autophagy-related protein 3, Ubiquitin-like modifier-activating enzyme atg7
Authors:Matoba, K, Fujioka, Y, Noda, N.N.
Deposit date:2012-09-11
Release date:2012-11-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Noncanonical recognition and UBL loading of distinct E2s by autophagy-essential Atg7.
Nat.Struct.Mol.Biol., 19, 2012
1UK1
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BU of 1uk1 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase complexed with a potent inhibitor
Descriptor: 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE, Poly [ADP-ribose] polymerase-1
Authors:Kinoshita, T.
Deposit date:2003-08-14
Release date:2004-09-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Rational approaches to discovery of orally active and brain-penetrable quinazolinone inhibitors of poly(ADP-ribose)polymerase
J.Med.Chem., 47, 2004
3VU4
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BU of 3vu4 by Molmil
Crystal structure of Kluyvelomyces marxianus Hsv2
Descriptor: KmHsv2, SULFATE ION
Authors:Watanabe, Y, Noda, N.N.
Deposit date:2012-06-15
Release date:2012-07-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based analyses reveal distinct binding sites for Atg2 and phosphoinositides in Atg18.
J.Biol.Chem., 287, 2012
8HAR
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BU of 8har by Molmil
SAH-bound C-Methyltransferase Fur6 from Streptomyces sp. KO-3988
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Fur6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Noguchi, T, Nagata, R, Tomita, T, Kuzuyama, T.
Deposit date:2022-10-26
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Reductive biosynthesis of meroterpenoids via transient diazotization
To Be Published
5Z5S
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BU of 5z5s by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 13ab
Descriptor: 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-01-19
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification.
Bioorg. Med. Chem., 26, 2018
5Z6S
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BU of 5z6s by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound DS-6930
Descriptor: 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-01-25
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization.
Bioorg. Med. Chem., 26, 2018
3WW6
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BU of 3ww6 by Molmil
Crystal Structure of hen egg white lysozyme mutant N46D/D52S
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Abe, Y, Kubota, M, Ito, Y, Imoto, T, Ueda, T.
Deposit date:2014-06-17
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Effect on catalysis by replacement of catalytic residue from hen egg white lysozyme to Venerupis philippinarum lysozyme.
Protein Sci., 25, 2016
3WW5
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BU of 3ww5 by Molmil
Crystal Structure of hen egg white lysozyme mutant N46E/D52S
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Abe, Y, Kubota, M, Ito, Y, Imoto, T, Ueda, T.
Deposit date:2014-06-17
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Effect on catalysis by replacement of catalytic residue from hen egg white lysozyme to Venerupis philippinarum lysozyme.
Protein Sci., 25, 2016
3W6X
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BU of 3w6x by Molmil
Yeast N-acetyltransferase Mpr1 in complex with CHOP
Descriptor: (4S)-4-hydroxy-L-proline, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
Authors:Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H.
Deposit date:2013-02-25
Release date:2013-08-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural and functional analysis of the yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism
Proc.Natl.Acad.Sci.USA, 110, 2013
3W6S
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BU of 3w6s by Molmil
yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism
Descriptor: HEXAETHYLENE GLYCOL, MAGNESIUM ION, MPR1 protein
Authors:Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H.
Deposit date:2013-02-21
Release date:2013-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional analysis of the yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism
Proc.Natl.Acad.Sci.USA, 110, 2013
2EQQ
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BU of 2eqq by Molmil
Solution structure of growth-blocking peptide of the armyworm, Pseudaletia separata
Descriptor: Growth-blocking peptide, long form
Authors:Umetsu, Y, Aizawa, T, Kamiya, M, Kumaki, Y, Demura, M, Kawano, K.
Deposit date:2007-03-30
Release date:2008-04-01
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:C-terminal elongation of growth-blocking peptide enhances its biological activity and micelle binding affinity
J.Biol.Chem., 284, 2009
2EQH
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BU of 2eqh by Molmil
Solution structure of growth-blocking peptide of the armyworm, Pseudaletia separata
Descriptor: Growth-blocking peptide, short form
Authors:Umetsu, Y, Aizawa, T, Kamiya, M, Kumaki, Y, Demura, M, Kawano, K.
Deposit date:2007-03-30
Release date:2008-04-01
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:C-terminal elongation of growth-blocking peptide enhances its biological activity and micelle binding affinity
J.Biol.Chem., 284, 2009
2EQT
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BU of 2eqt by Molmil
Micelle-bound structure of growth-blocking peptide of the armyworm, Pseudaletia separata
Descriptor: Growth-blocking peptide, long form
Authors:Umetsu, Y, Aizawa, T, Kamiya, M, Kumaki, Y, Demura, M, Kawano, K.
Deposit date:2007-03-30
Release date:2008-04-01
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:C-terminal elongation of growth-blocking peptide enhances its biological activity and micelle binding affinity
J.Biol.Chem., 284, 2009
7C3N
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BU of 7c3n by Molmil
Crystal structure of JAK3 in complex with Delgocitinib
Descriptor: 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3
Authors:Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T.
Deposit date:2020-05-13
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020

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