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3BU1
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BU of 3bu1 by Molmil
Crystal structure of monomine-histamine complex
Descriptor: HISTAMINE, Lipocalin, SULFATE ION
Authors:Mans, B.J, Ribeiro, J.M, Andersen, J.F.
Deposit date:2007-12-31
Release date:2008-04-01
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure, function, and evolution of biogenic amine-binding proteins in soft ticks.
J.Biol.Chem., 283, 2008
1HE7
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BU of 1he7 by Molmil
Human Nerve growth factor receptor TrkA
Descriptor: GLYCEROL, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR
Authors:Banfield, M, Robertson, A, Allen, S, Dando, J, Tyler, S, Bennett, G, Brain, S, Mason, G, Holden, P, Clarke, A, Naylor, R, Wilcock, G, Brady, R, Dawbarn, D.
Deposit date:2000-11-20
Release date:2001-04-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Structure of the Nerve Growth Factor Binding Site on Trka.
Biochem.Biophys.Res.Commun., 282, 2001
2A2I
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BU of 2a2i by Molmil
Aquifex aeolicus KDO8PS in complex with PEP, A5P, Zn2+
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, PHOSPHOENOLPYRUVATE, ...
Authors:Kona, F, Xu, X, Lu, J, Martin, P, Gatti, D.L.
Deposit date:2005-06-22
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Electronic structure of the metal center in the Cd(2+), Zn(2+), and Cu(2+) substituted forms of KDO8P synthase: implications for catalysis.
Biochemistry, 48, 2009
3BU9
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BU of 3bu9 by Molmil
Selenomethionine derivative of monomine L57,63,87,146M mutant
Descriptor: Lipocalin
Authors:Mans, B.J, Ribeiro, J.M, Andersen, J.F.
Deposit date:2008-01-02
Release date:2008-04-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure, function, and evolution of biogenic amine-binding proteins in soft ticks.
J.Biol.Chem., 283, 2008
7OJX
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BU of 7ojx by Molmil
E2 UBE2K covalently linked to donor Ub, acceptor di-Ub, and RING E3 primed for K48-linked Ub chain synthesis
Descriptor: 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), E3 ubiquitin-protein ligase RNF38, Polyubiquitin-B, ...
Authors:Majorek, K.A, Nakasone, M.A, Huang, D.T.
Deposit date:2021-05-17
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of UBE2K-Ub/E3/polyUb reveals mechanisms of K48-linked Ub chain extension.
Nat.Chem.Biol., 18, 2022
1MT9
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BU of 1mt9 by Molmil
Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy
Descriptor: PHOSPHATE ION, PROTEASE RETROPEPSIN, p1-p6 Gag substrate decapeptide
Authors:Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
Deposit date:2002-09-20
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy
J.Virol., 77, 2003
4Q9Y
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BU of 4q9y by Molmil
Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II
Descriptor: 3-methylbenzenethiol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-05-02
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
6KJG
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BU of 6kjg by Molmil
Crystal structure of PsoF
Descriptor: Dual-functional monooxygenase/methyltransferase psoF
Authors:Hara, K, Hashimoto, H, Matsushita, T, Tsunematsu, Y, Watanabe, K.
Deposit date:2019-07-22
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Functional and Structural Analyses oftrans C-Methyltransferase in Fungal Polyketide Biosynthesis.
Biochemistry, 58, 2019
6X81
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BU of 6x81 by Molmil
Crystal Structure of TNFalpha with isoquinoline compound 2
Descriptor: Tumor necrosis factor, [4-(isoquinolin-8-yl)phenyl]acetonitrile
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
7QNV
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BU of 7qnv by Molmil
human carbonic anhydrase II bound to 3-methylbenzoselenoate
Descriptor: 3-methylbenzoselenoate, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-12-22
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Benzoselenoates: A novel class of carbonic anhydrase inhibitors.
Bioorg.Chem., 122, 2022
2FJW
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BU of 2fjw by Molmil
d(CTTGAATGCATTCAAG) in complex with MMLV RT catalytic fragment
Descriptor: 5'-D(*CP*TP*TP*GP*AP*AP*TP*G)-3', 5'-D(P*CP*AP*TP*TP*CP*AP*AP*G)-3', Reverse transcriptase
Authors:Goodwin, K.D, Georgiadis, M.M.
Deposit date:2006-01-03
Release date:2006-06-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A High-Throughput, High-Resolution Strategy for the Study of Site-Selective DNA Binding Agents: Analysis of a "Highly Twisted" Benzimidazole-Diamidine.
J.Am.Chem.Soc., 128, 2006
6KJI
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BU of 6kji by Molmil
Crystal structure of PsoF with SAH
Descriptor: Dual-functional monooxygenase/methyltransferase psoF, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
Authors:Hara, K, Hashimoto, H, Matsushita, T, Tsunematsu, Y, Watanabe, K.
Deposit date:2019-07-22
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Functional and Structural Analyses oftrans C-Methyltransferase in Fungal Polyketide Biosynthesis.
Biochemistry, 58, 2019
6L7Y
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BU of 6l7y by Molmil
Crystal structure of Cet1 from Trypanosoma cruzi in complex with #466 ligand.
Descriptor: 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione, SULFATE ION, mRNA_triPase domain-containing protein
Authors:Kuwabara, N, Ho, K.
Deposit date:2019-11-03
Release date:2020-06-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate.
J.Biol.Chem., 295, 2020
4QOM
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BU of 4qom by Molmil
Bacillus pumilus catalase with pyrogallol bound
Descriptor: BENZENE-1,2,3-TRIOL, CHLORIDE ION, Catalase, ...
Authors:Loewen, P.C.
Deposit date:2014-06-20
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
1MCO
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BU of 1mco by Molmil
THREE-DIMENSIONAL STRUCTURE OF A HUMAN IMMUNOGLOBULIN WITH A HINGE DELETION
Descriptor: IGG1 MCG INTACT ANTIBODY (HEAVY CHAIN), IGG1 MCG INTACT ANTIBODY (LIGHT CHAIN), N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-L-gulopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Guddat, L.W, Edmundson, A.B.
Deposit date:1993-02-25
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Three-dimensional structure of a human immunoglobulin with a hinge deletion.
Proc.Natl.Acad.Sci.Usa, 90, 1993
4QOP
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BU of 4qop by Molmil
Structure of Bacillus pumilus catalase with hydroquinone bound.
Descriptor: CHLORIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Loewen, P.C.
Deposit date:2014-06-20
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
4MQ7
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BU of 4mq7 by Molmil
Structure of human CD1d-sulfatide
Descriptor: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
Authors:Luoma, A.M, Adams, E.J.
Deposit date:2013-09-15
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6032 Å)
Cite:Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
3TMZ
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BU of 3tmz by Molmil
Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ...
Authors:Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
Deposit date:2011-09-01
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012
4QOL
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BU of 4qol by Molmil
Structure of Bacillus pumilus catalase
Descriptor: ACETATE ION, CHLORIDE ION, Catalase, ...
Authors:Loewen, P.C.
Deposit date:2014-06-20
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
6X85
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BU of 6x85 by Molmil
Crystal Structure of TNFalpha with indolinone compound 9
Descriptor: 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one, Tumor necrosis factor
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6RHK
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BU of 6rhk by Molmil
The crystal structure of human carbonic anhydrase II in complex with 4-(3-benzylimidazolidine-1-carbonyl)benzenesulfonamide
Descriptor: 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Angeli, A, Supuran, C.T.
Deposit date:2019-04-22
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors.
Bioorg.Chem., 91, 2019
7U8F
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BU of 7u8f by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2) and the molecular glue DKY709
Descriptor: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA damage-binding protein 1, ...
Authors:Ma, X, Ornelas, E, Clifton, M.C.
Deposit date:2022-03-08
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
6ROB
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BU of 6rob by Molmil
Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-cyanobenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-05-10
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.929 Å)
Cite:The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
4QOQ
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BU of 4qoq by Molmil
Structure of Bacillus pumilus catalase with guaiacol bound
Descriptor: CHLORIDE ION, Catalase, Guaiacol, ...
Authors:Loewen, P.C.
Deposit date:2014-06-20
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
4QOO
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BU of 4qoo by Molmil
Structure of Bacillus pumilus catalase with resorcinol bound.
Descriptor: CHLORIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Loewen, P.C.
Deposit date:2014-06-20
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015

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