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5G1Z
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BU of 5g1z by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 1)
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
3H94
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BU of 3h94 by Molmil
Crystal structure of the membrane fusion protein CusB from Escherichia coli
Descriptor: Cation efflux system protein cusB, SILVER ION
Authors:Su, C.-C, Yang, F, Long, F, Reyon, D, Routh, M.D, Kuo, D.W, Mokhtari, A.K, Van Ornam, J.D, Rabe, K.L, Hoy, J.A, Lee, Y.J, Rajashankar, K.R, Yu, E.W.
Deposit date:2009-04-30
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:Crystal structure of the membrane fusion protein CusB from Escherichia coli
J.Mol.Biol., 393, 2009
5G6T
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BU of 5g6t by Molmil
Crystal structure of Zn-containing NagZ H174A mutant from Pseudomonas aeruginosa
Descriptor: BETA-HEXOSAMINIDASE, DI(HYDROXYETHYL)ETHER, ZINC ION
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-07-15
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5G5U
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BU of 5g5u by Molmil
Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa
Descriptor: BETA-HEXOSAMINIDASE
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-06-05
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
6ROH
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BU of 6roh by Molmil
Cryo-EM structure of the autoinhibited Drs2p-Cdc50p
Descriptor: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
6S37
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BU of 6s37 by Molmil
Ligand binding domain of the P. putida receptor PcaY_PP in complex with salicylic acid
Descriptor: 2-HYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor
Authors:Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T.
Deposit date:2019-06-24
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
6Q72
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BU of 6q72 by Molmil
Crystal structure of the alanine racemase from Bacillus subtilis in the presence of only PEG 4000 and Magnesium chloride in the crystallization condition
Descriptor: Alanine racemase 2, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
Deposit date:2018-12-12
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
3H1P
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BU of 3h1p by Molmil
Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site
Descriptor: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE
Authors:Witkowski, W.A, Hardy, J.A.
Deposit date:2009-04-13
Release date:2009-06-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:L2' loop is critical for caspase-7 active site formation.
Protein Sci., 18, 2009
6QB5
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BU of 6qb5 by Molmil
Crystal structure of the N-terminal region of human cohesin subunit STAG1
Descriptor: Cohesin subunit SA-1, SODIUM ION
Authors:Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2018-12-20
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
3H5G
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BU of 3h5g by Molmil
Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Descriptor: ACETATE ION, COIL SER L16D-Pen, ZINC ION
Authors:Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2009-04-22
Release date:2009-07-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Angew.Chem.Int.Ed.Engl., 48, 2009
6QBU
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BU of 6qbu by Molmil
Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC188
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Chymotrypsin-like elastase family member 1, PHOSPHATE ION, ...
Authors:Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
Deposit date:2018-12-21
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
3H8I
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BU of 3h8i by Molmil
The first X-ray structure of a sulfide:quinone oxidoreductase: Insights into sulfide oxidation mechanism
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, PHOSPHATE ION, ...
Authors:Brito, J.A, Sousa, F.L, Stelter, M, Bandeiras, T.M, Vonrhein, C, Teixeira, M, Pereira, M.M, Archer, M.
Deposit date:2009-04-29
Release date:2009-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and functional insights into sulfide:quinone oxidoreductase.
Biochemistry, 48, 2009
1T9H
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BU of 1t9h by Molmil
The crystal structure of YloQ, a circularly permuted GTPase.
Descriptor: ACETATE ION, CALCIUM ION, Probable GTPase engC, ...
Authors:Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Cladiere, L, Antson, A.A, Isupov, M.N, Seror, S.J, Wilkinson, A.J.
Deposit date:2004-05-17
Release date:2004-11-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of YloQ, a Circularly Permuted GTPase Essential for Bacillus Subtilis Viability.
J.Mol.Biol., 340, 2004
5J7Y
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BU of 5j7y by Molmil
Architecture of loose respirasome
Descriptor: COMPLEX I 13KDA/NDUFS6, COMPLEX I 15KDA/NDUFS5, COMPLEX I 18KDA/NDUFS6, ...
Authors:Letts, J.A, Fiedorczuk, F, Sazanov, L.A.
Deposit date:2016-04-07
Release date:2016-09-21
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:The architecture of respiratory supercomplexes.
Nature, 537, 2016
3K92
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BU of 3k92 by Molmil
Crystal structure of a E93K mutant of the majour Bacillus subtilis glutamate dehydrogenase RocG
Descriptor: DI(HYDROXYETHYL)ETHER, NAD-specific glutamate dehydrogenase
Authors:Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J.
Deposit date:2009-10-15
Release date:2010-06-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties
J.Mol.Biol., 400, 2010
3JW7
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BU of 3jw7 by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ile-L-Tyr
Descriptor: Dipeptide Epimerase, GLYCEROL, ISOLEUCINE, ...
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C.
Deposit date:2009-09-18
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
2OD8
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BU of 2od8 by Molmil
Structure of a peptide derived from Cdc9 bound to PCNA
Descriptor: DNA ligase I, mitochondrial precursor, Proliferating cell nuclear antigen
Authors:Chapados, B.R, Tainer, J.A.
Deposit date:2006-12-21
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The C-terminal domain of yeast PCNA is required for physical and functional interactions with Cdc9 DNA ligase.
Nucleic Acids Res., 35, 2007
6S33
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BU of 6s33 by Molmil
Ligand binding domain of the P. putida receptor PcaY_PP in complex with Protocatechuate
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor
Authors:Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T.
Deposit date:2019-06-24
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
5IUK
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BU of 5iuk by Molmil
Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM)
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A.
Deposit date:2016-03-18
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action.
Elife, 5, 2016
6ROD
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BU of 6rod by Molmil
Alpha-1-antitrypsin (Ser36Arg/Glu78Arg/Glu266Arg) in the native conformation
Descriptor: Alpha-1-antitrypsin
Authors:Wan, M, Ronzoni, R, Lomas, D.A, Irving, J.A.
Deposit date:2019-05-11
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Polymer accumulation in alpha-1 antitrypsin deficiency
To Be Published
6ROL
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BU of 6rol by Molmil
Structure of IMP2 KH34 domains
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Insulin-like growth factor 2 mRNA-binding protein 2, ...
Authors:Bhaskar, V, Biswas, J, Singer, R.H, Chao, J.A.
Deposit date:2019-05-13
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structural basis for RNA selectivity by the IMP family of RNA-binding proteins.
Nat Commun, 10, 2019
5I6X
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BU of 5i6x by Molmil
X-ray structure of the ts3 human serotonin transporter complexed with paroxetine at the central site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ...
Authors:Coleman, J.A, Green, E.M, Gouaux, E.
Deposit date:2016-02-16
Release date:2016-04-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
3HUF
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BU of 3huf by Molmil
Structure of the S. pombe Nbs1-Ctp1 complex
Descriptor: DNA repair and telomere maintenance protein nbs1, Double-strand break repair protein ctp1, THIOCYANATE ION
Authors:Williams, R.S, Guenther, G, Tainer, J.A.
Deposit date:2009-06-13
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Nbs1 flexibly tethers Ctp1 and Mre11-Rad50 to coordinate DNA double-strand break processing and repair.
Cell(Cambridge,Mass.), 139, 2009
6S18
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BU of 6s18 by Molmil
Ligand binding domain of the P. putida receptor PcaY_PP in complex with glycerol
Descriptor: Aromatic acid chemoreceptor, CHLORIDE ION, GLYCEROL
Authors:Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T.
Deposit date:2019-06-18
Release date:2020-10-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
5I4A
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BU of 5i4a by Molmil
X-ray crystal structure of Marinitoga piezophila Argonaute in complex with 5' OH guide RNA
Descriptor: Argonaute protein, RNA (5'-R(*UP*AP*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*U)-3')
Authors:Doxzen, K.W, Kaya, E, Knoll, K.R, Wilson, R.C, Strutt, S.C, Kranzusch, P.J, Doudna, J.A.
Deposit date:2016-02-11
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:A bacterial Argonaute with noncanonical guide RNA specificity.
Proc.Natl.Acad.Sci.USA, 113, 2016

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