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4AM7
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BU of 4am7 by Molmil
ADP-BOUND C-TERMINAL DOMAIN OF ACTIN-RELATED PROTEIN ARP8 FROM S. CEREVISIAE
Descriptor: ACTIN-LIKE PROTEIN ARP8, ADENOSINE-5'-DIPHOSPHATE
Authors:Wuerges, J, Saravanan, M, Bose, D, Cook, N.J, Zhang, X, Wigley, D.B.
Deposit date:2012-03-07
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Interactions between the Nucleosome Histone Core and Arp8 in the Ino80 Chromatin Remodeling Complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
2X69
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BU of 2x69 by Molmil
X-ray Structure of Macrophage Inflammatory Protein-1 alpha polymer
Descriptor: C-C MOTIF CHEMOKINE 3
Authors:Guo, Q, Ren, M, Tang, W.
Deposit date:2010-02-15
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Polymerization of Mip-1 Chemokine (Ccl3 and Ccl4) and Clearance of Mip-1 by Insulin-Degrading Enzyme.
Embo J., 29, 2010
4JVA
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BU of 4jva by Molmil
Crystal Structure of RIIbeta(108-402) bound to HE33, a N6 di-propyl substituted cAMP analog
Descriptor: (2R,4aR,6R,7R,7aS)-6-[6-(dipropylamino)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide, cAMP-dependent protein kinase type II-beta regulatory subunit
Authors:Brown, S.H.J, Cheng, C.Y, Saldanha, A.S, Wu, J, Cottam, H, Sankaran, B, Taylor, S.S.
Deposit date:2013-03-25
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Implementing Fluorescence Anisotropy Screening and Crystallographic Analysis to Define PKA Isoform-Selective Activation by cAMP Analogs.
Acs Chem.Biol., 8, 2013
4DC7
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BU of 4dc7 by Molmil
Crystal Structure of Myoglobin Exposed to Excessive SONICC Imaging Laser Dose.
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Becker, M, Mulichak, A.M, Kissick, D.J, Fischetti, R.F, Keefe, L.J, Simpson, G.J.
Deposit date:2012-01-17
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Towards protein-crystal centering using second-harmonic generation (SHG) microscopy.
Acta Crystallogr.,Sect.D, 69, 2013
4DD0
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BU of 4dd0 by Molmil
EVAL processed HEWL, cisplatin aqueous glycerol
Descriptor: GLYCEROL, Lysozyme C
Authors:Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
Deposit date:2012-01-18
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
4DJW
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BU of 4djw by Molmil
Structure of BACE Bound to 2-imino-3-methyl-5-phenyl-5-(3-(pyridin-3-yl)phenyl)imidazolidin-4-one
Descriptor: (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Cumming, J.
Deposit date:2012-02-02
Release date:2012-03-21
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
2WH8
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BU of 2wh8 by Molmil
Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines
Descriptor: 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130
Authors:Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R.
Deposit date:2009-05-01
Release date:2009-07-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.
J. Biol. Chem., 284, 2009
4J8F
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BU of 4j8f by Molmil
Crystal structure of a fusion protein containing the NBD of Hsp70 and the middle domain of Hip
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A/1B, Hsc70-interacting protein, ...
Authors:Li, Z, Bracher, A.
Deposit date:2013-02-14
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and function of Hip, an attenuator of the Hsp70 chaperone cycle.
Nat.Struct.Mol.Biol., 20, 2013
451C
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BU of 451c by Molmil
STRUCTURE OF CYTOCHROME C551 FROM P. AERUGINOSA REFINED AT 1.6 ANGSTROMS RESOLUTION AND COMPARISON OF THE TWO REDOX FORMS
Descriptor: CYTOCHROME C551, PROTOPORPHYRIN IX CONTAINING FE
Authors:Matsuura, Y, Takano, T, Dickerson, R.E.
Deposit date:1981-07-20
Release date:1981-10-02
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of cytochrome c551 from Pseudomonas aeruginosa refined at 1.6 A resolution and comparison of the two redox forms.
J.Mol.Biol., 156, 1982
4APE
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BU of 4ape by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN
Authors:Pearl, L.H, Sewell, B.T, Jenkins, J.A, Cooper, J.B, Blundell, T.L.
Deposit date:1986-06-09
Release date:1986-07-14
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
2X0A
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BU of 2x0a by Molmil
MPD-Lysozyme structure at 55.5 keV using a TRIXXEL CsI-aSi based digital imager and the new ESRF U22 undulator source at ID15
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, LYSOZYME C, ...
Authors:Jakoncic, J.
Deposit date:2009-12-07
Release date:2010-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A 75 Seconds Macromolecule Structure at 55.5 Kev
To be Published
7XZR
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BU of 7xzr by Molmil
Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2022-06-03
Release date:2022-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
3NUO
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BU of 3nuo by Molmil
Crystal Structure of HIV-1 Protease Mutant L90M with Antiviral Drug Amprenavir
Descriptor: IODIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Shen, C.H, Weber, I.T.
Deposit date:2010-07-07
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
7Y3L
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BU of 7y3l by Molmil
Structure of SALL3 ZFC4 bound with 12 bp AT-rich dsDNA
Descriptor: DNA (12-mer), Sal-like protein 3, ZINC ION
Authors:Ru, W, Xu, C.
Deposit date:2022-06-11
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies of SALL family protein zinc finger cluster domains in complex with DNA reveal preferential binding to an AATA tetranucleotide motif.
J.Biol.Chem., 298, 2022
7XZQ
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BU of 7xzq by Molmil
Crystal structure of TNIK-thiopeptide TP1 complex
Descriptor: 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1
Authors:Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2022-06-03
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
4AMI
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BU of 4ami by Molmil
Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol
Descriptor: 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile, BETA-1 ADRENERGIC RECEPTOR, HEGA-10
Authors:Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G.
Deposit date:2012-03-11
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
7Y3K
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BU of 7y3k by Molmil
Structure of SALL4 ZFC4 bound with 16 bp AT-rich dsDNA
Descriptor: DNA (16-mer), Sal-like protein 4, ZINC ION
Authors:Ru, W, Xu, C.
Deposit date:2022-06-11
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural studies of SALL family protein zinc finger cluster domains in complex with DNA reveal preferential binding to an AATA tetranucleotide motif.
J.Biol.Chem., 298, 2022
3NWX
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BU of 3nwx by Molmil
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
Descriptor: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-12
Release date:2011-11-02
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
7Y3I
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BU of 7y3i by Molmil
Structure of DNA bound SALL4
Descriptor: DNA (12-mer), Sal-like protein 4, ZINC ION
Authors:Ru, W, Xu, C.
Deposit date:2022-06-10
Release date:2022-10-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural studies of SALL family protein zinc finger cluster domains in complex with DNA reveal preferential binding to an AATA tetranucleotide motif.
J.Biol.Chem., 298, 2022
1GBT
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BU of 1gbt by Molmil
STRUCTURE OF AN ACYL-ENZYME INTERMEDIATE DURING CATALYSIS: (GUANIDINOBENZOYL) TRYPSIN
Descriptor: 4-carbamimidamidobenzoic acid, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Singer, P.T, Sweet, R.M.
Deposit date:1991-09-17
Release date:1994-01-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of an acyl-enzyme intermediate during catalysis: (guanidinobenzoyl)trypsin.
Biochemistry, 29, 1990
7Y3M
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BU of 7y3m by Molmil
Structure of SALL4 ZFC1 bound with 16 bp AT-rich dsDNA
Descriptor: DNA (16-mer), Sal-like protein 4, ZINC ION
Authors:Ru, W, Xu, C.
Deposit date:2022-06-11
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.723 Å)
Cite:Structural studies of SALL family protein zinc finger cluster domains in complex with DNA reveal preferential binding to an AATA tetranucleotide motif.
J.Biol.Chem., 298, 2022
2X1F
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BU of 2x1f by Molmil
Structure of Rna15 RRM with bound RNA (GU)
Descriptor: 5'-R(*GP*UP*UP*GP*UP)-3', MRNA 3'-END-PROCESSING PROTEIN RNA15
Authors:Pancevac, C, Goldstone, D.C, Ramos, A, Taylor, I.A.
Deposit date:2010-01-06
Release date:2010-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the RNA15 Rrm-RNA Complex Reveals the Molecular Basis of Gu Specificity in Transcriptional 3-End Processing Factors.
Nucleic Acids Res., 38, 2010
4AFQ
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BU of 4afq by Molmil
Human Chymase - Fynomer Complex
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHYMASE, CITRATE ANION, ...
Authors:Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M.
Deposit date:2012-01-23
Release date:2012-07-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
3NU4
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BU of 3nu4 by Molmil
Crystal Structure of HIV-1 Protease Mutant V32I with Antiviral Drug Amprenavir
Descriptor: CHLORIDE ION, SODIUM ION, protease, ...
Authors:Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T.
Deposit date:2010-07-06
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
7YF6
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BU of 7yf6 by Molmil
Crystal structure of HIV-1 protease in complex with macrocyclic peptide
Descriptor: MAGNESIUM ION, Macrocyclic Peptide, Protease
Authors:Kusumoto, Y, Sato, S, Yamada, T, Kozono, I, Nakata, Z, Asada, N, Mitsuki, S, Wakasa-Morimoto, C, Tohru, M, Watanabe, A, Hayashi, K, Mikamiyama, H.
Deposit date:2022-07-07
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Highly Potent and Oral Macrocyclic Peptides as a HIV-1 Protease Inhibitor: mRNA Display-Derived Hit-to-Lead Optimization.
Acs Med.Chem.Lett., 13, 2022

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