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4ALX
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BU of 4alx by Molmil
Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE
Descriptor: (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one, ACETYLCHOLINE BINDING PROTEIN, MAGNESIUM ION, ...
Authors:Shahsavar, A, Kastrup, J.S, Nielsen, E.O, Kristensen, J.L, Gajhede, M, Balle, T.
Deposit date:2012-03-06
Release date:2012-08-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Lymnaea Stagnalis Achbp Complexed with the Potent Nachr Antagonist Dh-Betab-E Suggests a Unique Mode of Antagonism
Plos One, 7, 2012
5UIP
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BU of 5uip by Molmil
structure of DHFR with bound DAP, p-ABG and NADP
Descriptor: Dihydrofolate reductase, N-(4-aminobenzene-1-carbonyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-01-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
6ANE
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BU of 6ane by Molmil
Crystal Structure of Ideonella sakaiensis PET Hydrolase
Descriptor: MAGNESIUM ION, Poly(ethylene terephthalate) hydrolase
Authors:Galaz-Davison, P, Sotomayor, M, Parra, L.P, Ramirez-Sarmiento, C.A.
Deposit date:2017-08-12
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Active Site Flexibility as a Hallmark for Efficient PET Degradation by I. sakaiensis PETase.
Biophys. J., 114, 2018
5UIO
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BU of 5uio by Molmil
structure of DHFR with bound DAP, p-ABG and NADP
Descriptor: BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FORMIC ACID, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-01-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
7VVR
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BU of 7vvr by Molmil
Bovine cytochrome c oxidese in CN-bound mixed valence state at 50 K
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Tsukihara, T.
Deposit date:2021-11-08
Release date:2022-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
5V49
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BU of 5v49 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1917)
Descriptor: GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2017-03-08
Release date:2017-07-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Optimization of a binding fragment targeting the "enlarged methionine pocket" leads to potent Trypanosoma brucei methionyl-tRNA synthetase inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
2JKW
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BU of 2jkw by Molmil
Pseudoazurin M16F
Descriptor: COPPER (II) ION, PSEUDOAZURIN
Authors:Yanagisawa, S, Crowley, P.B, Firbank, S.J, Lawler, A.T, Hunter, D.M, McFarlane, W, Li, C, Kohzuma, T, Banfield, M.J, Dennison, C.
Deposit date:2008-09-01
Release date:2008-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pi-Interaction Tuning of the Active Site Properties of Metalloproteins.
J.Am.Chem.Soc., 130, 2008
5THN
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BU of 5thn by Molmil
Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2
Descriptor: 2-hydroxycyclohepta-2,4,6-triene-1-thione, CITRIC ACID, Carbonic anhydrase 2, ...
Authors:Dick, B, Cohen, S.
Deposit date:2016-09-29
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
3DIS
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BU of 3dis by Molmil
Crystallization of the Thermotoga maritima lysine riboswitch in free form
Descriptor: ISOPROPYL ALCOHOL, RNA (174-MER), SODIUM ION
Authors:Serganov, A.A.
Deposit date:2008-06-20
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into amino acid binding and gene control by a lysine riboswitch.
Nature, 455, 2008
2PKN
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BU of 2pkn by Molmil
Crystal structure of M tuberculosis Adenosine Kinase complexed with AMP-PCP (non-hydrolyzable ATP analog)
Descriptor: Adenosine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-04-18
Release date:2007-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme
J.Biol.Chem., 282, 2007
5UB7
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BU of 5ub7 by Molmil
XAC2383 from Xanthomonas citri bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Phosphate-binding protein
Authors:Teixeira, R.D, Guzzo, C.R, Farah, C.S.
Deposit date:2016-12-20
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:A bipartite periplasmic receptor-diguanylate cyclase pair (XAC2383-XAC2382) in the bacteriumXanthomonas citri.
J. Biol. Chem., 293, 2018
3GWX
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BU of 3gwx by Molmil
MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Descriptor: 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA))
Authors:Xu, H.E, Lambert, M.H, Montana, V.G, Parks, D.J, Blanchard, S.G, Brown, P.J, Sternbach, D.D, Lehmann, J.M, Wisely, G.B, Willson, T.M, Kliewer, S.A, Milburn, M.V.
Deposit date:1999-04-26
Release date:2000-04-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
5UIH
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BU of 5uih by Molmil
structure of DHFR with bound phenformin and NADP
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Dihydrofolate reductase, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-01-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
3C6Q
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BU of 3c6q by Molmil
Apo and ligand-bound form of a thermophilic glucose/xylose binding protein
Descriptor: Sugar ABC transporter, periplasmic sugar-binding protein, beta-D-xylopyranose
Authors:Cuneo, M.J, Hellinga, H.W.
Deposit date:2008-02-05
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Open to closed transition of a thermophilic glucose binding protein
To be Published
2VT8
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BU of 2vt8 by Molmil
Structure of a conserved dimerisation domain within Fbox7 and PI31
Descriptor: PROTEASOME INHIBITOR PI31 SUBUNIT
Authors:Kirk, R.J, Murray-Rust, J, Knowles, P.P, Laman, H, McDonald, N.Q.
Deposit date:2008-05-12
Release date:2008-05-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a Conserved Dimerization Domain within the F-Box Protein Fbxo7 and the Pi31 Proteasome Inhibitor.
J.Biol.Chem., 283, 2008
2OAX
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BU of 2oax by Molmil
Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420
Descriptor: Mineralocorticoid receptor, SPIRONOLACTONE
Authors:Huyet, J, Pinon, G.M, Fay, M.R, Rafestin-Oblin, M.E, Fagart, J.
Deposit date:2006-12-18
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis of spirolactone recognition by the mineralocorticoid receptor
Mol.Pharmacol., 72, 2007
1A37
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BU of 1a37 by Molmil
14-3-3 PROTEIN ZETA BOUND TO PS-RAF259 PEPTIDE
Descriptor: 14-3-3 PROTEIN ZETA, PS-RAF259 PEPTIDE LSQRQRST(SEP)TPNVHM
Authors:Petosa, C, Masters, S.C, Pohl, J, Wang, B, Fu, H, Liddington, R.C.
Deposit date:1998-01-28
Release date:1999-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:14-3-3zeta binds a phosphorylated Raf peptide and an unphosphorylated peptide via its conserved amphipathic groove.
J.Biol.Chem., 273, 1998
1BT6
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BU of 1bt6 by Molmil
P11 (S100A10), LIGAND OF ANNEXIN II IN COMPLEX WITH ANNEXIN II N-TERMINUS
Descriptor: ANNEXIN II, S100A10
Authors:Rety, S, Sopkova, J, Renouard, M, Osterloh, D, Gerke, V, Russo-Marie, F, Lewit-Bentley, A.
Deposit date:1998-09-02
Release date:1999-01-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of a complex of p11 with the annexin II N-terminal peptide.
Nat.Struct.Biol., 6, 1999
4KJV
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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
Descriptor: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-05-03
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
4ED5
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BU of 4ed5 by Molmil
Crystal structure of the two N-terminal RRM domains of HuR complexed with RNA
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 5'-R(*A*UP*UP*UP*UP*UP*AP*UP*UP*UP*U)-3', ...
Authors:Wang, H, Zeng, F, Liu, Q, Niu, L, Teng, M, Li, X.
Deposit date:2012-03-27
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of the ARE-binding domains of Hu antigen R (HuR) undergoes conformational changes during RNA binding.
Acta Crystallogr.,Sect.D, 69, 2013
3H54
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BU of 3h54 by Molmil
Crystal Structure of human alpha-N-acetylgalactosaminidase,complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Clark, N.E, Garman, S.C.
Deposit date:2009-04-21
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The 1.9 a structure of human alpha-N-acetylgalactosaminidase: The molecular basis of Schindler and Kanzaki diseases
J.Mol.Biol., 393, 2009
2PKM
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BU of 2pkm by Molmil
Crystal structure of M tuberculosis Adenosine Kinase complexed with adenosine
Descriptor: ADENOSINE, Adenosine kinase
Authors:Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-04-17
Release date:2007-06-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme
J.Biol.Chem., 282, 2007
1F18
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BU of 1f18 by Molmil
Crystal structure of yeast copper-zinc superoxide dismutase mutant GLY85ARG
Descriptor: COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D.
Deposit date:2000-05-18
Release date:2002-12-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
1F1D
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BU of 1f1d by Molmil
Crystal structure of yeast H46C cuznsod mutant
Descriptor: COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D.
Deposit date:2000-05-18
Release date:2002-12-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
1F1A
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BU of 1f1a by Molmil
Crystal structure of yeast H48Q cuznsod fals mutant analog
Descriptor: COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D.
Deposit date:2000-05-18
Release date:2002-12-18
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999

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