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6JTB
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BU of 6jtb by Molmil
Crystal structure of dipeptidyl peptidase 11 (DPP11) with citrate from Porphyromonas gingivalis (Space)
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N.
Deposit date:2019-04-10
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase.
Sci Rep, 9, 2019
6JTC
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BU of 6jtc by Molmil
Crystal structure of dipeptidyl peptidase 11 (DPP11) with SH-5 from Porphyromonas gingivalis (Space)
Descriptor: 2-(2-azanylethylamino)-5-nitro-benzoic acid, Asp/Glu-specific dipeptidyl-peptidase, GLYCEROL
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N.
Deposit date:2019-04-10
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase.
Sci Rep, 9, 2019
1TCJ
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BU of 1tcj by Molmil
STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
Descriptor: MU-CONOTOXIN GIIIA
Authors:Kohda, D, Lancelin, J.-M, Inagaki, F, Wakamatsu, K.
Deposit date:1992-12-12
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
4INW
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BU of 4inw by Molmil
Structure of Pheromone-binding protein 1 in complex with (11Z,13Z)-hexadecadienal
Descriptor: (11Z,13Z)-hexadeca-11,13-dienal, Pheromone-binding protein 1
Authors:di Luccio, E, Wilson, D.K.
Deposit date:2013-01-07
Release date:2013-03-06
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Plos One, 8, 2013
4INX
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BU of 4inx by Molmil
Structure of Pheromone-binding protein 1 in complex with (Z,Z)-11,13- hexadecadienol
Descriptor: (11Z,13Z)-hexadeca-11,13-dien-1-ol, Pheromone-binding protein 1
Authors:di Luccio, E, Wilson, D.K.
Deposit date:2013-01-07
Release date:2013-03-06
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Plos One, 8, 2013
1TCH
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BU of 1tch by Molmil
STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
Descriptor: MU-CONOTOXIN GIIIA
Authors:Lancelin, J.-M, Kohda, D, Inagaki, F.
Deposit date:1992-12-12
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
6DL7
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BU of 6dl7 by Molmil
Human mitochondrial ClpP in complex with ONC201 (TIC10)
Descriptor: 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Halgas, O, Zarabi, S.F, Schimmer, A, Pai, E.F.
Deposit date:2018-05-31
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mitochondrial ClpP-Mediated Proteolysis Induces Selective Cancer Cell Lethality.
Cancer Cell, 35, 2019
1TCG
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BU of 1tcg by Molmil
STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
Descriptor: MU-CONOTOXIN GIIIA
Authors:Kohda, D, Lancelin, J.-M, Inagaki, F, Wakamatsu, K.
Deposit date:1992-12-12
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
1TCK
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BU of 1tck by Molmil
STRUCTURE-ACTIVITY RELATIONSHIPS OF MU-CONOTOXIN GIIIA: STRUCTURE DETERMINATION OF ACTIVE AND INACTIVE SODIUM CHANNEL BLOCKER PEPTIDES BY NMR AND SIMULATED ANNEALING CALCULATIONS
Descriptor: MU-CONOTOXIN GIIIA
Authors:Lancelin, J.-M, Kohda, D, Inagaki, F.
Deposit date:1992-12-12
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations.
Biochemistry, 31, 1992
7N82
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BU of 7n82 by Molmil
NMR Solution structure of Se0862
Descriptor: Biofilm-related protein
Authors:Zhang, N, LiWang, A.L.
Deposit date:2021-06-11
Release date:2021-07-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Assessment of prediction methods for protein structures determined by NMR in CASP14: Impact of AlphaFold2.
Proteins, 89, 2021
3OGN
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BU of 3ogn by Molmil
Crystal Structure of an Odorant-binding Protein from the Southern House Mosquito Complexed with an Oviposition Pheromone
Descriptor: (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate, MAGNESIUM ION, Odorant-binding protein
Authors:Mao, Y, Clardy, J.
Deposit date:2010-08-17
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal and solution structures of an odorant-binding protein from the southern house mosquito complexed with an oviposition pheromone.
Proc.Natl.Acad.Sci.USA, 107, 2010
6NUK
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BU of 6nuk by Molmil
De novo designed protein Ferredog-Diesel
Descriptor: Ferredog-Diesel
Authors:Koepnick, B, Bick, M.J, DiMaio, F, Norgard-Solano, T, Baker, D.
Deposit date:2019-02-01
Release date:2019-06-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:De novo protein design by citizen scientists.
Nature, 570, 2019
2ZQE
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BU of 2zqe by Molmil
Crystal structure of the Smr domain of Thermus thermophilus MutS2
Descriptor: MutS2 protein
Authors:Fukui, K, Kitamura, Y, Nakagawa, N, Masui, R, Kuramitsu, S.
Deposit date:2008-08-08
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of MutS2 endonuclease domain and the mechanism of homologous recombination suppression
J.Biol.Chem., 283, 2008
2D5R
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BU of 2d5r by Molmil
Crystal Structure of a Tob-hCaf1 Complex
Descriptor: CCR4-NOT transcription complex subunit 7, Tob1 protein
Authors:Horiuchi, M, Suzuki, N.N, Muroya, N, Takahasi, K, Nishida, M, Yoshida, Y, Ikematsu, N, Nakamura, T, Kawamura-Tsuzuku, J, Yamamoto, T, Inagaki, F.
Deposit date:2005-11-04
Release date:2006-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the antiproliferative activity of the Tob-hCaf1 complex.
J.Biol.Chem., 284, 2009
1UCG
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BU of 1ucg by Molmil
Crystal structure of Ribonuclease MC1 N71T mutant
Descriptor: MANGANESE (II) ION, Ribonuclease MC
Authors:Suzuki, A, Numata, T, Yao, M, Tanaka, I, Kimura, M.
Deposit date:2003-04-14
Release date:2003-04-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of the ribonuclease MC1 mutants N71T and N71S in complex with 5'-GMP: structural basis for alterations in substrate specificity
Biochemistry, 42, 2003
3K1E
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BU of 3k1e by Molmil
Crystal structure of odorant binding protein 1 (AaegOBP1) from Aedes aegypti
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Leite, N.R, Krogh, R, Leal, W.S, Iulek, J, Oliva, G.
Deposit date:2009-09-27
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of an odorant-binding protein from the mosquito Aedes aegypti suggests a binding pocket covered by a pH-sensitive "Lid".
Plos One, 4, 2009
1HAK
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BU of 1hak by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN PLACENTAL ANNEXIN V COMPLEXED WITH K-201 AS A CALCIUM CHANNEL ACTIVITY INHIBITOR
Descriptor: 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE, ANNEXIN V
Authors:Ago, H, Inagaki, E, Miyano, M.
Deposit date:1997-12-10
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of annexin V with its ligand K-201 as a calcium channel activity inhibitor.
J.Mol.Biol., 274, 1997
3I7V
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BU of 3i7v by Molmil
Crystal structure of AP4A hydrolase complexed with AP4A (ATP) (aq_158) from Aquifex aeolicus Vf5
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, AP4A hydrolase, ...
Authors:Jeyakanthan, J, Kanaujia, S.P, Nakagawa, N, Sekar, K, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-07-09
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Free and ATP-bound structures of Ap(4)A hydrolase from Aquifex aeolicus V5
Acta Crystallogr.,Sect.D, 66, 2010
1GIB
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BU of 1gib by Molmil
MU-CONOTOXIN GIIIB, NMR
Descriptor: MU-CONOTOXIN GIIIB
Authors:Hill, J.M, Alewood, P.F, Craik, D.J.
Deposit date:1996-04-17
Release date:1996-11-08
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of mu-conotoxin GIIIB, a specific blocker of skeletal muscle sodium channels.
Biochemistry, 35, 1996
3I7U
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BU of 3i7u by Molmil
Crystal structure of AP4A hydrolase (aq_158) from Aquifex aeolicus VF5
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AP4A hydrolase, ...
Authors:Jeyakanthan, J, Kanaujia, S.P, Nakagawa, N, Sekar, K, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-07-09
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Free and ATP-bound structures of Ap(4)A hydrolase from Aquifex aeolicus V5
Acta Crystallogr.,Sect.D, 66, 2010
7WKI
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BU of 7wki by Molmil
Structure of the ultra-affinity complex between CFH and a nanobody
Descriptor: Anti-CFH nanobody (VHH), Complement factor H
Authors:Caaveiro, J.M.M, Yokoo, T, Tsumoto, K.
Deposit date:2022-01-10
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Antibody recognition of complement factor H reveals a flexible loop involved in atypical hemolytic uremic syndrome pathogenesis.
J.Biol.Chem., 298, 2022
7XAR
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BU of 7xar by Molmil
Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor
Descriptor: 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ...
Authors:Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A.
Deposit date:2022-03-18
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
2KPH
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BU of 2kph by Molmil
NMR Structure of AtraPBP1 at pH 4.5
Descriptor: Pheromone binding protein
Authors:Ames, J.
Deposit date:2009-10-15
Release date:2010-02-02
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:NMR Structure of Navel Orangeworm Moth Pheromone-Binding Protein (AtraPBP1): Implications for pH-Sensitive Pheromone Detection .
Biochemistry, 49, 2010
6LXU
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BU of 6lxu by Molmil
Crystal structure of methionine gamma-lyase from Fusobacterium nucleatum
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, L-methionine gamma-lyase, NITRATE ION
Authors:Kezuka, Y, Yoshida, Y, Nonaka, T.
Deposit date:2020-02-12
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystal structure of methionine gamma-lyase from Fusobacterium nucleatum
To Be Published
1XFR
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BU of 1xfr by Molmil
Solution structure of the Bombyx mori pheromone-binding protein fragment BmPBP(1-128) at pH 6.5
Descriptor: Pheromone-binding protein
Authors:Michel, E, Damberger, F.F, Leal, W.S, Wuthrich, K.
Deposit date:2004-09-15
Release date:2005-09-27
Last modified:2018-09-05
Method:SOLUTION NMR
Cite:Dynamic conformational equilibria in the physiological function of the Bombyx mori pheromone-binding protein.
J. Mol. Biol., 408, 2011

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