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8GFB
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BU of 8gfb by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Fv16b inhibitor
Descriptor: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023
1VHN
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BU of 1vhn by Molmil
Crystal structure of a putative flavin oxidoreductase with flavin
Descriptor: FLAVIN MONONUCLEOTIDE, SULFATE ION, putative flavin oxidoreductase
Authors:Structural GenomiX
Deposit date:2003-12-01
Release date:2003-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The 1.59 A resolution crystal structure of TM0096, a flavin mononucleotide binding protein from Thermotoga maritima.
Proteins, 55, 2004
6YES
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BU of 6yes by Molmil
Crystal structure of type I-D CRISPR-Cas nuclease Cas10d
Descriptor: CRISPR-associated protein, CscA, ZINC ION
Authors:Brodersen, D.E, Van, L.B, Manav, M.C.
Deposit date:2020-03-25
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structural basis for inhibition of an archaeal CRISPR-Cas type I-D large subunit by an anti-CRISPR protein.
Nat Commun, 11, 2020
6O9H
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BU of 6o9h by Molmil
Mouse ECD with Fab1
Descriptor: Gastric inhibitory polypeptide receptor, Heavy chain, Light chain, ...
Authors:Min, X, Wang, Z.
Deposit date:2019-03-13
Release date:2020-01-22
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
6O9I
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BU of 6o9i by Molmil
Ternary complex of mouse ECD with Fab1 and Fab2
Descriptor: 1,2-ETHANEDIOL, Fab 2 heavy chain, Fab1 heavy chain, ...
Authors:Min, X, Wang, Z.
Deposit date:2019-03-13
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
4KPS
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BU of 4kps by Molmil
Structure and receptor binding specificity of the hemagglutinin H13 from avian influenza A virus H13N6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
Authors:Lu, X, Qi, J, Shi, Y, Gao, G.
Deposit date:2013-05-14
Release date:2013-07-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.587 Å)
Cite:Structure and Receptor Binding Specificity of Hemagglutinin H13 from Avian Influenza A Virus H13N6
J.Virol., 87, 2013
4KPQ
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BU of 4kpq by Molmil
Structure and receptor binding specificity of the hemagglutinin H13 from avian influenza A virus H13N6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Lu, X, Qi, J, Shi, Y, Gao, G.
Deposit date:2013-05-14
Release date:2013-07-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure and Receptor Binding Specificity of Hemagglutinin H13 from Avian Influenza A Virus H13N6
J.Virol., 87, 2013
6OLD
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BU of 6old by Molmil
CSP1-cyc(Dap6E10)
Descriptor: Competence-stimulating peptide type 1
Authors:Yang, Y.
Deposit date:2019-04-16
Release date:2020-01-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae.
Proc.Natl.Acad.Sci.USA, 117, 2020
4WQ6
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BU of 4wq6 by Molmil
The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
Descriptor: 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Li, D, Wang, W.
Deposit date:2014-10-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
1VI7
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BU of 1vi7 by Molmil
Crystal structure of an hypothetical protein
Descriptor: Hypothetical protein yigZ
Authors:Structural GenomiX
Deposit date:2003-12-01
Release date:2003-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of YIGZ, a conserved hypothetical protein from Escherichia coli k12 with a novel fold
Proteins, 55, 2004
5WLZ
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BU of 5wlz by Molmil
Crystal Structure of Amino Acids 1677-1758 of Human Beta Cardiac Myosin Fused to Xrcc4
Descriptor: DNA repair protein XRCC4,Myosin-7
Authors:Andreas, M.P, Ajay, G, Gellings, J, Rayment, I.
Deposit date:2017-07-28
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Design considerations in coiled-coil fusion constructs for the structural determination of a problematic region of the human cardiac myosin rod.
J. Struct. Biol., 200, 2017
6S6B
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BU of 6s6b by Molmil
Type III-B Cmr-beta Cryo-EM structure of the Apo state
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-07-02
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
6S8B
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BU of 6s8b by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 1
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-07-09
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
6S91
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BU of 6s91 by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 2
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-07-11
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
6SIC
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BU of 6sic by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA
Descriptor: CRISPR-associated RAMP protein, Cmr1 family, Cmr4 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-08-09
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
6S8E
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BU of 6s8e by Molmil
Cryo-EM structure of the type III-B Cmr-beta complex bound to non-cognate target RNA
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-07-09
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
6SH8
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BU of 6sh8 by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 2, in the presence of ssDNA
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-08-06
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
6SHB
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BU of 6shb by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 1, in the presence of ssDNA
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-08-06
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
7N91
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BU of 7n91 by Molmil
P70 S6K1 IN COMPLEX WITH MSC2317067A-1
Descriptor: 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
Authors:Mochalkin, I.
Deposit date:2021-06-16
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
7N93
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BU of 7n93 by Molmil
P70 S6K1 IN COMPLEX WITH MSC2363318A-1
Descriptor: 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
Authors:Mochalkin, I.
Deposit date:2021-06-16
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
6NSL
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BU of 6nsl by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M, Khan, J.A.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019
2YEQ
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BU of 2yeq by Molmil
Structure of PhoD
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALKALINE PHOSPHATASE D, ...
Authors:Lillington, J.E.D, Rodriguez, F, Roversi, P, Johnson, S.J, Berks, B, Lea, S.M.
Deposit date:2011-03-30
Release date:2012-04-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of the Bacillus Subtilis Phosphodiesterase Phod Reveals an Iron and Calcium-Containing Active Site.
J.Biol.Chem., 289, 2014
6RVA
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BU of 6rva by Molmil
STRUCTURE OF [ASP58]-IGF-I ANALOGUE
Descriptor: Insulin-like growth factor I
Authors:Jiracek, J, Zakova, L, Socha, O.
Deposit date:2019-05-31
Release date:2019-10-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Mutations at hypothetical binding site 2 in insulin and insulin-like growth factors 1 and 2 result in receptor- and hormone-specific responses.
J.Biol.Chem., 294, 2019
3MVM
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BU of 3mvm by Molmil
P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V
Descriptor: 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2010-05-04
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
3MVL
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BU of 3mvl by Molmil
P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K
Descriptor: 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2010-05-04
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010

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