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5I4H
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BU of 5i4h by Molmil
Caught in the Act: The Crystal Structure of cleaved Cathepsin L bound to the active site of Cathepsin L
Descriptor: Cathepsin L1, GLYCEROL, SULFATE ION
Authors:Sosnowski, P, Turk, D.
Deposit date:2016-02-12
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Caught in the act: the crystal structure of cleaved cathepsin L bound to the active site of Cathepsin L.
Febs Lett., 590, 2016
2GU1
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BU of 2gu1 by Molmil
Crystal structure of a zinc containing peptidase from vibrio cholerae
Descriptor: SODIUM ION, ZINC ION, Zinc peptidase
Authors:Sugadev, R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-04-28
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a putative lysostaphin peptidase from Vibrio cholerae.
Proteins, 72, 2008
2GU9
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BU of 2gu9 by Molmil
Crystal structure of XC5357 from Xanthomonas campestris: A putative tetracenomycin polyketide synthesis protein adopting a novel cupin subfamily structure
Descriptor: tetracenomycin polyketide synthesis protein
Authors:Chin, K.-H, Chou, C.C, Wang, A.H.-J, Chou, S.-H.
Deposit date:2006-04-28
Release date:2006-11-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of XC5357 from Xanthomonas campestris: A putative tetracenomycin polyketide synthesis protein adopting a novel cupin subfamily structure
Proteins, 65, 2006
5IO7
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BU of 5io7 by Molmil
Bovine beta-lactoglobulin complex with dodecane at high pressure (0.43 GPa)
Descriptor: Beta-lactoglobulin, CHLORIDE ION, DODECANE
Authors:Kurpiewska, K, Biela, A.
Deposit date:2016-03-08
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin.
Colloids Surf B Biointerfaces, 161, 2017
7S25
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BU of 7s25 by Molmil
ROCK1 IN COMPLEX WITH LIGAND G4998
Descriptor: 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide, CHLORIDE ION, Rho-associated protein kinase 1
Authors:Ganichkin, O, Harris, S.F, Steinbacher, S.
Deposit date:2021-09-03
Release date:2022-10-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.337 Å)
Cite:Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.
Nat Commun, 13, 2022
2RLP
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BU of 2rlp by Molmil
NMR structure of CCP modules 1-2 of complement factor H
Descriptor: Complement factor H
Authors:Hocking, H.G, Herbert, A.P, Pangburn, M.K, Kavanagh, D, Barlow, P.N, Uhrin, D.
Deposit date:2007-07-28
Release date:2008-02-19
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structure of the N-terminal region of complement factor H and conformational implications of disease-linked sequence variations.
J.Biol.Chem., 283, 2008
2RMW
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BU of 2rmw by Molmil
Solution structure of synthetic 26-mer peptide containing 142-166 sheep prion protein segment and C-terminal cysteine with R156A mutation
Descriptor: Major prion protein
Authors:Bertho, G, Bouvier, G, Hui Bon Hoa, G, Girault, J.-P.
Deposit date:2007-11-29
Release date:2007-12-18
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Key role of the residue 155 in the mechanism of prion transconformation highlighted by the study of sheep mutant peptides
To be Published
2GR2
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BU of 2gr2 by Molmil
Crystal structure of Ferredoxin reductase, BphA4 (oxidized form)
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, FLAVIN-ADENINE DINUCLEOTIDE, ferredoxin reductase
Authors:Senda, T, Senda, M.
Deposit date:2006-04-22
Release date:2007-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A ferredoxin reductase BphA4 uses a butterfly motion of FAD to regulate affinity for ferredoxin
To be Published
5IOM
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BU of 5iom by Molmil
Crystal Structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni is space group P6322
Descriptor: Nucleoside diphosphate kinase
Authors:Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2016-03-08
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
7D3C
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BU of 7d3c by Molmil
The newly emerged SARS-like coronavirus HCoV-EMC also has an "Achilles' heel": current effective inhibitor targeting a 3C-like protease
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yan, L, Ren, Z.
Deposit date:2020-09-18
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The newly emerged SARS-like coronavirus HCoV-EMC also has an "Achilles' heel": current effective inhibitor targeting a 3C-like protease
Protein cell, 4, 2013
2GRG
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BU of 2grg by Molmil
Solution NMR Structure of Protein YNR034W-A from Saccharomyces cerevisiae. Northeast Structural Genomics Consortium Target YT727; Ontario Center for Structural Proteomics Target yst6499.
Descriptor: hypothetical protein; Ynr034w-ap
Authors:Wu, B, Yee, A, Ramelot, T, Lemak, A, Semesi, A, Kennedy, M, Edward, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-04-24
Release date:2006-05-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of hypothetical protein yst6499 from Saccharomyces cerevisiae/ Northeast Structural Genomics Consortium Target YT727/ Ontario Center for Structural Proteomics Target yst6499
To be Published
2GW3
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BU of 2gw3 by Molmil
Crystal structure of stony coral fluorescent protein Kaede, green form
Descriptor: Kaede, NICKEL (II) ION
Authors:Hayashi, I, Mizuno, H, Miyawaki, A, Ikura, M.
Deposit date:2006-05-03
Release date:2007-05-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic evidence for water-assisted photo-induced peptide cleavage in the stony coral fluorescent protein Kaede.
J.Mol.Biol., 372, 2007
7S4T
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BU of 7s4t by Molmil
Crystal structure of CDK2 liganded with compound EF2252
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-09-09
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
2RNF
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BU of 2rnf by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN RIBONUCLEASE 4 IN COMPLEX WITH D(UP)
Descriptor: 2'-DEOXYURIDINE 3'-MONOPHOSPHATE, RIBONUCLEASE 4
Authors:Terzyan, S.S, Peracaula, R, De Llorens, R, Tsushima, Y, Yamada, H, Seno, M, Gomis-Ruth, F.X, Coll, M.
Deposit date:1998-11-03
Release date:1999-11-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The three-dimensional structure of human RNase 4, unliganded and complexed with d(Up), reveals the basis for its uridine selectivity.
J.Mol.Biol., 285, 1999
2GWF
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BU of 2gwf by Molmil
Structure of a USP8-NRDP1 complex
Descriptor: RING finger protein 41, Ubiquitin carboxyl-terminal hydrolase 8
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-05-04
Release date:2006-06-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
2RNL
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BU of 2rnl by Molmil
Solution structure of the EGF-like domain from human Amphiregulin
Descriptor: Amphiregulin
Authors:Qin, X, Hayashi, F, Terada, T, Shirouzu, M, Watanabe, S, Kigawa, T, Yabuta, N, Nojima, H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-01-11
Release date:2009-01-20
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of the EGF-like domain from human Amphiregulin
To be Published
2GSF
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BU of 2gsf by Molmil
The Human Epha3 Receptor Tyrosine Kinase and Juxtamembrane Region
Descriptor: Ephrin type-A receptor 3
Authors:Walker, J.R, Davis, T, Dong, A, Newman, E.M, MacKenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-04-26
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure Of The Human Epha3 Receptor Tyrosine Kinase and Juxtamembrane Region
To be Published
7SA2
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BU of 7sa2 by Molmil
SARS-CoV-2 spike-derived peptide S1060-1068 (VVFLHVTYV) presented by HLA-A*02:01
Descriptor: Beta-2-microglobulin, CADMIUM ION, MHC class I antigen, ...
Authors:Szeto, C, Gras, S.
Deposit date:2021-09-21
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:SARS-CoV-2 spike-derived peptide S1060-1068 (VVFLHVTYV) presented by HLA-A*02:01
To Be Published
2GX1
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BU of 2gx1 by Molmil
Solution structure and alanine scan of a spider toxin that affects the activation of mammalian sodium channels
Descriptor: Neurotoxin magi-5
Authors:Sabo, J.K, Corzo, G, Bosmans, F, Billen, B, Villegas, E, Tytgat, J, Norton, R.S.
Deposit date:2006-05-08
Release date:2006-12-05
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution Structure and Alanine Scan of a Spider Toxin That Affects the Activation of Mammalian Voltage-gated Sodium Channels
J.Biol.Chem., 282, 2007
2GXS
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BU of 2gxs by Molmil
HERA N-terminal domain in complex with AMP, crystal form 2
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2006-05-09
Release date:2006-08-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure and Nucleotide Binding of the Thermus thermophilus RNA Helicase Hera N-terminal Domain.
J.Mol.Biol., 351, 2006
2RNX
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BU of 2rnx by Molmil
The Structural Basis for Site-Specific Lysine-Acetylated Histone Recognition by the Bromodomains of the HUman Transcriptional Co-Activators PCAF and CBP
Descriptor: Histone H3, Histone acetyltransferase PCAF
Authors:Zeng, L, Zhang, Q, Gerona-Navarro, G, Zhou, M.M.
Deposit date:2008-02-03
Release date:2008-05-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural Basis of Site-Specific Histone Recognition by the Bromodomains of Human Coactivators PCAF and CBP/p300
Structure, 16, 2008
7S26
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BU of 7s26 by Molmil
ROCK1 IN COMPLEX WITH LIGAND G5018
Descriptor: 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Rho-associated protein kinase 1
Authors:Ganichkin, O, Harris, S.F, Steinbacher, S.
Deposit date:2021-09-03
Release date:2022-10-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.744 Å)
Cite:Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.
Nat Commun, 13, 2022
2RON
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BU of 2ron by Molmil
The external thioesterase of the Surfactin-Synthetase
Descriptor: Surfactin synthetase thioesterase subunit
Authors:Koglin, A, Lohr, F, Bernhard, F, Rogov, V.V, Frueh, D.P, Strieter, E.R, Mofid, M.R, Guentert, P, Wagner, G, Walsh, C.T, Marahiel, M.A, Doetsch, V.
Deposit date:2008-04-04
Release date:2008-08-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for the selectivity of the external thioesterase of the surfactin synthetase
Nature, 454, 2008
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
Authors:MacPherson, D.J, Sherman, W.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
2RPQ
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BU of 2rpq by Molmil
Solution Structure of a SUMO-interacting motif of MBD1-containing chromatin-associated factor 1 bound to SUMO-3
Descriptor: Activating transcription factor 7-interacting protein 1, Small ubiquitin-related modifier 2
Authors:Sekiyama, N, Ikegami, T, Yamane, T, Ikeguchi, M, Uchimura, Y, Baba, D, Ariyoshi, M, Tochio, H, Saitoh, H, Shirakawa, M.
Deposit date:2008-07-07
Release date:2008-10-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the small ubiquitin-like modifier (SUMO)-interacting motif of MBD1-containing chromatin-associated factor 1 bound to SUMO-3
J.Biol.Chem., 283, 2008

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