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PDB: 5628 results

4GFH
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Topoisomerase II-DNA-AMPPNP complex
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*CP*GP*TP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*TP*AP*GP*CP*AP*GP*TP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*AP*CP*TP*GP*CP*TP*AP*C)-3'), ...
Authors:Schmidt, B.H, Osheroff, N, Berger, J.M.
Deposit date:2012-08-03
Release date:2012-10-03
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (4.408 Å)
Cite:Structure of a topoisomerase II-DNA-nucleotide complex reveals a new control mechanism for ATPase activity.
Nat.Struct.Mol.Biol., 19, 2012
2WLO
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BU of 2wlo by Molmil
POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM
Descriptor: POTASSIUM CHANNEL, POTASSIUM ION
Authors:Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M.
Deposit date:2009-06-24
Release date:2010-06-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4.036 Å)
Cite:Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels.
Cell(Cambridge,Mass.), 141, 2010
2WOA
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MMP12 complex with a beta hydroxy carboxylic acid
Descriptor: (3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L.
Deposit date:2009-07-22
Release date:2009-09-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1GGI
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BU of 1ggi by Molmil
CRYSTAL STRUCTURE OF AN HIV-1 NEUTRALIZING ANTIBODY 50.1 IN COMPLEX WITH ITS V3 LOOP PEPTIDE ANTIGEN
Descriptor: HIV-1 V3 LOOP PEPTIDE ANTIGEN, IGG2A 50.1 FAB (HEAVY CHAIN), IGG2A 50.1 FAB (LIGHT CHAIN)
Authors:Stanfield, R.L, Rini, J.M, Wilson, I.A.
Deposit date:1993-04-02
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a human immunodeficiency virus type 1 neutralizing antibody, 50.1, in complex with its V3 loop peptide antigen.
Proc.Natl.Acad.Sci.USA, 90, 1993
4GL9
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Crystal structure of inhibitory protein SOCS3 in complex with JAK2 kinase domain and fragment of GP130 intracellular domain
Descriptor: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Interleukin-6 receptor subunit beta, PHOSPHATE ION, ...
Authors:Kershaw, N.J, Murphy, J.M, Laktyushin, A, Nicola, N.A, Babon, J.J.
Deposit date:2012-08-14
Release date:2013-03-06
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:SOCS3 binds specific receptor-JAK complexes to control cytokine signaling by direct kinase inhibition.
Nat.Struct.Mol.Biol., 20, 2013
2XIK
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Structure of Human YSK1 (Yeast Sps1-Ste20-related Kinase 1)
Descriptor: 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE PROTEIN KINASE 25
Authors:Muniz, J.R.C, Rellos, P, Ugochukwu, E, Vollmar, M, Allerston, C, Chaikuad, A, Savitsky, P, Berridge, G, Brenner, B, Elkins, J.M, Daga, N, Gileadi, O, Mahajan, P, Shrestha, B, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
Deposit date:2010-06-30
Release date:2010-07-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of Human Ysk1 (Yeast Sps1-Ste20-Related Kinase 1)
To be Published
2XB8
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Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid
Descriptor: (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ...
Authors:Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2010-04-08
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids.
Chemmedchem, 5, 2010
2WYW
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High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD and triclosan-form
Descriptor: ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J.
Deposit date:2009-11-20
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
4D89
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Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment
Descriptor: (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-10
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4D8F
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BU of 4d8f by Molmil
Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 1 - high Mn)
Descriptor: ACETIC ACID, FE (III) ION, MANGANESE (II) ION, ...
Authors:Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M.
Deposit date:2012-01-10
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
1I2W
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BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 COMPLEXED WITH CEFOXITIN
Descriptor: (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, BETA-LACTAMASE, CARBAMIC ACID
Authors:Fonze, E, Vanhove, M, Dive, G, Sauvage, E, Frere, J.M, Charlier, P.
Deposit date:2001-02-12
Release date:2002-03-13
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the Bacillus licheniformis BS3 class A beta-lactamase and of the acyl-enzyme adduct formed with cefoxitin
Biochemistry, 41, 2002
2WV9
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BU of 2wv9 by Molmil
Crystal Structure of the NS3 protease-helicase from Murray Valley encephalitis virus
Descriptor: FLAVIVIRIN PROTEASE NS2B REGULATORY SUBUNIT, FLAVIVIRIN PROTEASE NS3 CATALYTIC SUBUNIT
Authors:Assenberg, R, Mastrangelo, E, Walter, T.S, Verma, A, Milani, M, Owens, R.J, Stuart, D.I, Grimes, J.M, Mancini, E.J.
Deposit date:2009-10-15
Release date:2009-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of a Novel Conformational State of the Flavivirus Ns3 Protein: Implications for Polyprotein Processing and Viral Replication.
J.Virol., 83, 2009
2WYV
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BU of 2wyv by Molmil
High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD-form
Descriptor: ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J.
Deposit date:2009-11-20
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
2WYU
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BU of 2wyu by Molmil
High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase apo-form
Descriptor: ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, GLYCEROL, SODIUM ION
Authors:Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J.
Deposit date:2009-11-20
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
2WY8
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Staphylococcus aureus complement subversion protein Sbi-IV in complex with complement fragment C3d
Descriptor: COMPLEMENT C3D FRAGMENT, GLYCEROL, IGG-BINDING PROTEIN
Authors:Clark, E.A, Crennell, S, Upadhyay, A, Mackay, J.D, Bagby, S, van den Elsen, J.M.
Deposit date:2009-11-13
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Structural Basis for Staphylococcal Complement Subversion: X-Ray Structure of the Complement- Binding Domain of Staphylococcus Aureus Protein Sbi in Complex with Ligand C3D.
Mol.Immunol., 48, 2011
4HEA
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BU of 4hea by Molmil
Crystal structure of the entire respiratory complex I from Thermus thermophilus
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Baradaran, R, Berrisford, J.M, Minhas, G.S, Sazanov, L.A.
Deposit date:2012-10-03
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3027 Å)
Cite:Crystal structure of the entire respiratory complex I.
Nature, 494, 2013
2X1E
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BU of 2x1e by Molmil
The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum in complex 6- aminopenicillanic acid
Descriptor: (2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ACYL-COENZYME, CHLORIDE ION, ...
Authors:Bokhove, M, Yoshida, H, Hensgens, C.M.H, van der Laan, J.M, Sutherland, J.D, Dijkstra, B.W.
Deposit date:2009-12-23
Release date:2010-03-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of an Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles for the Active Site Residues of Precursor and Mature Enzyme.
Structure, 18, 2010
6K2G
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BU of 6k2g by Molmil
Structure of FraE in the monomer state
Descriptor: FraE
Authors:Caaveiro, J.M.M, Morante, K, Tsumoto, K.
Deposit date:2019-05-14
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The Isolation of New Pore-Forming Toxins from the Sea AnemoneActinia fragaceaProvides Insights into the Mechanisms of Actinoporin Evolution.
Toxins, 11, 2019
6WW5
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BU of 6ww5 by Molmil
Structure of VcINDY-Na-Fab84 in nanodisc
Descriptor: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, DASS family sodium-coupled anion symporter, Fab84 Heavy Chain, ...
Authors:Sauer, D.B, Marden, J, Song, J.M, Koide, A, Koide, S, Wang, D.N.
Deposit date:2020-05-07
Release date:2020-09-16
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural basis for the reaction cycle of DASS dicarboxylate transporters.
Elife, 9, 2020
6WU3
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BU of 6wu3 by Molmil
Structure of VcINDY-Na+ in amphipol
Descriptor: VcINDY
Authors:Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N.
Deposit date:2020-05-04
Release date:2020-09-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural basis for the reaction cycle of DASS dicarboxylate transporters.
Elife, 9, 2020
5HGI
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BU of 5hgi by Molmil
Crystal structure of apo human IRE1 alpha
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ...
Authors:Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J.
Deposit date:2016-01-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.584 Å)
Cite:Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands.
Acs Chem.Biol., 11, 2016
2XF1
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BU of 2xf1 by Molmil
Crystal structure of Plasmodium falciparum actin depolymerization factor 1
Descriptor: COFILIN ACTIN-DEPOLYMERIZING FACTOR HOMOLOG 1, SULFATE ION
Authors:Singh, B.K, Sattler, J.M, Huttu, J, Chatterjee, M, Schueler, H, Kursula, I.
Deposit date:2010-05-20
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structures Explain Functional Differences in the Two Actin Depolymerization Factors of the Malaria Parasite.
J.Biol.Chem., 286, 2011
2XDA
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BU of 2xda by Molmil
STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-2-(2-Cyclopropyl)ethyl-4,6,7- trihydroxy-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid
Descriptor: (4R,6R,7S)-2-(2-CYCLOPROPYLETHYL)-4,6,7-TRIHYDROXY-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
Authors:Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Castedo, L, Gonzalez-Bello, C.
Deposit date:2010-04-30
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase.
ChemMedChem, 6, 2011
2XD9
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STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-4,6,7-Trihydroxy-2-((E)-prop-1- enyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid
Descriptor: (4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
Authors:Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Lapthorn, A.J, Castedo, L, Gonzalez-Bello, C.
Deposit date:2010-04-30
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase.
ChemMedChem, 6, 2011
2XFA
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Crystal structure of Plasmodium berghei actin depolymerization factor 2
Descriptor: ACTIN DEPOLYMERIZATION FACTOR 2
Authors:Singh, B.K, Sattler, J.M, Huttu, J, Chatterjee, M, Schueler, H, Kursula, I.
Deposit date:2010-05-21
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures Explain Functional Differences in the Two Actin Depolymerization Factors of the Malaria Parasite.
J.Biol.Chem., 286, 2011

224201

数据于2024-08-28公开中

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