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2MVM
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BU of 2mvm by Molmil
Solution structure of eEF1Bdelta CAR domain
Descriptor: Elongation factor 1-delta
Authors:Wu, H, Feng, Y.
Deposit date:2014-10-09
Release date:2015-02-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Evolutionarily Conserved Binding of Translationally Controlled Tumor Protein to Eukaryotic Elongation Factor 1B.
J.Biol.Chem., 290, 2015
2BEV
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BU of 2bev by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-11-30
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
4ZAK
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BU of 4zak by Molmil
Crystal structure of the mCD1d/DB06-1/iNKTCR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Zajonc, D.M, Birkholz, A.M.
Deposit date:2015-04-13
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.824 Å)
Cite:A Novel Glycolipid Antigen for NKT Cells That Preferentially Induces IFN-gamma Production.
J Immunol., 195, 2015
7EMJ
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BU of 7emj by Molmil
Crystal structure of T2R-TTL-Barbigerone complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one, CALCIUM ION, ...
Authors:Yang, J.H, Yan, W.
Deposit date:2021-04-14
Release date:2022-04-20
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of tubulin-barbigerone complex enables rational design of potent anticancer agents with isoflavone skeleton.
Phytomedicine, 109, 2023
1Z78
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BU of 1z78 by Molmil
Crystal Structure of the Thrombospondin-1 N-terminal domain
Descriptor: Thrombospondin 1
Authors:Tan, K, Wang, J, Lawler, J.
Deposit date:2005-03-24
Release date:2006-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structures of the thrombospondin-1 N-terminal domain and its complex with a synthetic pentameric heparin.
Structure, 14, 2006
4MO7
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BU of 4mo7 by Molmil
Crystal structure of superantigen PfiT
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Transcriptional regulator I2
Authors:Liu, L.H, Chen, H, Li, H.M.
Deposit date:2013-09-11
Release date:2014-02-05
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
5GLC
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BU of 5glc by Molmil
Crystal structure of the class A beta-lactamase PenL-tTR11 containing 20 residues insertion in omega-loop
Descriptor: Beta-lactamase
Authors:Choi, J.M, Yi, H, Kim, H.S, Lee, S.H.
Deposit date:2016-07-10
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
3DQT
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BU of 3dqt by Molmil
Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2008-07-09
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
7KPT
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BU of 7kpt by Molmil
Crystal structure of CtdE in complex with FAD and substrate 4
Descriptor: (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Zhao, B, Hu, L.
Deposit date:2020-11-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
7KPQ
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BU of 7kpq by Molmil
Crystal structure of CtdE in complex with FAD
Descriptor: FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Zhao, B, Hu, L.
Deposit date:2020-11-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
5WHR
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BU of 5whr by Molmil
Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate.
Descriptor: (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A.
Deposit date:2017-07-18
Release date:2017-12-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
5JI3
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BU of 5ji3 by Molmil
HslUV complex
Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV
Authors:Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V.
Deposit date:2016-04-21
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis.
Structure, 24, 2016
7UG9
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BU of 7ug9 by Molmil
Crystal structure of RNase AM PHP domain
Descriptor: 5'-3' exoribonuclease, MANGANESE (II) ION, SULFATE ION
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-03-24
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Identification of a novel deFADding activity in human, yeast and bacterial 5' to 3' exoribonucleases.
Nucleic Acids Res., 50, 2022
1AHC
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BU of 1ahc by Molmil
THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN
Descriptor: ALPHA-MOMORCHARIN
Authors:Ren, J, Wang, Y, Dong, Y, Stuart, D.I.
Deposit date:1994-01-07
Release date:1994-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
5GLD
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BU of 5gld by Molmil
Crystal structure of the class A beta-lactamase PenL-tTR11 in complex with CBA
Descriptor: Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Choi, J.M, Yi, H, Kim, H.S, Lee, S.H.
Deposit date:2016-07-10
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
1AHA
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BU of 1aha by Molmil
THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN
Descriptor: ADENINE, ALPHA-MOMORCHARIN
Authors:Ren, J, Wang, Y, Dong, Y, Stuart, D.I.
Deposit date:1994-01-07
Release date:1994-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
3SQ2
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BU of 3sq2 by Molmil
RB69 DNA Polymerase Ternary Complex with dTTP Opposite 2AP (AT rich sequence)
Descriptor: 5'-D(*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*G)-3', CALCIUM ION, ...
Authors:Xia, S, Konigsberg, W.H, Wang, J.
Deposit date:2011-07-04
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
1AHB
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BU of 1ahb by Molmil
THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN
Descriptor: ALPHA-MOMORCHARIN, FORMYCIN-5'-MONOPHOSPHATE
Authors:Ren, J, Wang, Y, Dong, Y, Stuart, D.I.
Deposit date:1994-01-07
Release date:1994-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
5U74
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BU of 5u74 by Molmil
Structure of human Niemann-Pick C1 protein
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, X.
Deposit date:2016-12-11
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.335 Å)
Cite:3.3 angstrom structure of Niemann-Pick C1 protein reveals insights into the function of the C-terminal luminal domain in cholesterol transport.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3DQR
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BU of 3dqr by Molmil
Structure of neuronal NOS D597N/M336V mutant heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2008-07-09
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
7W8T
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BU of 7w8t by Molmil
Solution structures of a disulfide-rich peptide that can bind KEAP1
Descriptor: DRP3
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8Z
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BU of 7w8z by Molmil
Solution structures of a disulfide-rich peptide designed through sequence grafting
Descriptor: drp4
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-09
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
4PDB
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BU of 4pdb by Molmil
CRYSTAL STRUCTURE OF BACILLUS ANTHRACIS RIBOSOMAL PROTEIN S8 IN COMPLEX WITH AN RNA APTAMER
Descriptor: 30S ribosomal protein S8, SELEX RNA aptamer
Authors:Davlieva, M, Shamoo, Y, Nikonowicz, E.P.
Deposit date:2014-04-17
Release date:2014-09-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure analysis of free and bound states of an RNA aptamer against ribosomal protein S8 from Bacillus anthracis.
Nucleic Acids Res., 42, 2014
7DV5
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BU of 7dv5 by Molmil
Human bile salt exporter ABCB11 in complex with taurocholate
Descriptor: Bile salt export pump, TAUROCHOLIC ACID
Authors:Wang, L, How, W.T, Chen, Y.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets.
Cell Res., 32, 2022
4EQK
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BU of 4eqk by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Hong Kong/1/68 (h3n2) with bound m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, NITRATE ION, Polymerase basic protein 2
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-19
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013

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