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3ZH4
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BU of 3zh4 by Molmil
crystal structure of S. pneumoniae Hungary 19A MurA1 in complex with citrate
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
Authors:Gutierrez-Fernandez, J, Hermoso, J.A.
Deposit date:2012-12-20
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Heteroresistance to Fosfomycin is Predominant in Streptococcus Pneumoniae and Depends on Mura1 Gene.
Antimicrob.Agents Chemother., 57, 2013
3O38
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BU of 3o38 by Molmil
Crystal structure of a short chain dehydrogenase from Mycobacterium smegmatis
Descriptor: SODIUM ION, Short chain dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-07-23
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3U8B
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BU of 3u8b by Molmil
Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism
Descriptor: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ...
Authors:Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F.
Deposit date:2011-10-16
Release date:2012-10-17
Last modified:2013-06-12
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
3TJR
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BU of 3tjr by Molmil
Crystal structure of a Rv0851c ortholog short chain dehydrogenase from Mycobacterium paratuberculosis
Descriptor: UNKNOWN LIGAND, short chain dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-24
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3ZH3
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BU of 3zh3 by Molmil
crystal structure of S. pneumoniae D39 native MurA1
Descriptor: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
Authors:Gutierrez-Fernandez, J, Hermoso, J.A.
Deposit date:2012-12-20
Release date:2013-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Heteroresistance to Fosfomycin is Predominant in Streptococcus Pneumoniae and Depends on Mura1 Gene.
Antimicrob.Agents Chemother., 57, 2013
2E3E
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BU of 2e3e by Molmil
NMR structure of DEF-BBB, a mutant of anopheles defensin DEF-AAA
Descriptor: defensin, mutant DEF-BBB
Authors:Landon, C, Barbault, F, Vovelle, F.
Deposit date:2006-11-22
Release date:2007-11-13
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Rational design of peptides active against the gram positive bacteria Staphylococcus aureus
Proteins, 72, 2008
1UBK
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BU of 1ubk by Molmil
Three-dimensional Structure of The Carbon Monoxide Complex of [NiFe]hydrogenase From Desulufovibrio vulgaris Miyazaki F
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI), CARBON MONOXIDE, ...
Authors:Ogata, H, Mizoguchi, Y, Mizuno, N, Miki, K, Adachi, S, Yasuoka, N, Yagi, T, Yamauchi, O, Hirota, S, Higuchi, Y.
Deposit date:2003-04-04
Release date:2003-04-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural Studies of the Carbon Monoxide Complex of [NiFe]hydrogenase from Desulfovibrio vulgaris Miyazaki F: Suggestion for the Initial Activation Site for Dihydrogen
J.Am.Chem.Soc., 124, 2002
6S03
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BU of 6s03 by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379
Descriptor: 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2019-06-13
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
6S0T
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BU of 6s0t by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide
Descriptor: IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
1UBJ
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BU of 1ubj by Molmil
Three-dimensional Structure of The Carbon Monoxide Complex of [NiFe]hydrogenase From Desulufovibrio vulgaris Miyazaki F
Descriptor: (MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI), CARBON MONOXIDE, FE3-S4 CLUSTER, ...
Authors:Ogata, H, Mizoguchi, Y, Mizuno, N, Miki, K, Adachi, S, Yasuoka, N, Yagi, T, Yamauchi, O, Hirota, S, Higuchi, Y.
Deposit date:2003-04-04
Release date:2003-04-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural Studies of the Carbon Monoxide Complex of [NiFe]hydrogenase from Desulfovibrio vulgaris Miyazaki F: Suggestion for the Initial Activation Site for Dihydrogen
J.Am.Chem.Soc., 124, 2002
6S92
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BU of 6s92 by Molmil
Crystal structure of group A of Usutu virus envelope protein domain III
Descriptor: Genome polyprotein
Authors:Schoenenwald, A.K.J, Skern, T.
Deposit date:2019-07-11
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and antigenic investigation of Usutu virus envelope protein domain III.
Virology, 551, 2020
6S94
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BU of 6s94 by Molmil
Crystal structure of group D of Usutu virus envelope protein domain III
Descriptor: Genome polyprotein
Authors:Schoenenwald, A.K.J, Skern, T.
Deposit date:2019-07-11
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and antigenic investigation of Usutu virus envelope protein domain III.
Virology, 551, 2020
6S95
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BU of 6s95 by Molmil
Crystal structure of group I of Usutu virus envelope protein domain III
Descriptor: Genome polyprotein
Authors:Schoenenwald, A.K.J, Skern, T.
Deposit date:2019-07-11
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural and antigenic investigation of Usutu virus envelope protein domain III.
Virology, 551, 2020
6SHO
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BU of 6sho by Molmil
SAD structure of Human Survivin recovered by continuous rotation data collection and multivariate analysis of Friedel pairs
Descriptor: Baculoviral IAP repeat-containing protein 5, ZINC ION
Authors:Garcia-Bonete, M.J, Katona, G.
Deposit date:2019-08-07
Release date:2019-11-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.20008445 Å)
Cite:Bayesian machine learning improves single-wavelength anomalous diffraction phasing.
Acta Crystallogr.,Sect.A, 75, 2019
6S93
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BU of 6s93 by Molmil
Crystal structure of group B of Usutu virus envelope protein domain III
Descriptor: Genome polyprotein
Authors:Schoenenwald, A.K.J, Skern, T.
Deposit date:2019-07-11
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural and antigenic investigation of Usutu virus envelope protein domain III.
Virology, 551, 2020
1UKP
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BU of 1ukp by Molmil
Crystal structure of soybean beta-amylase mutant substituted at surface region
Descriptor: Beta-amylase, SULFATE ION
Authors:Kang, Y.N, Adachi, M, Mikami, B, Utsumi, S.
Deposit date:2003-08-31
Release date:2004-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Change in the crystal packing of soybean beta-amylase mutants substituted at a few surface amino acid residues
Protein Eng., 16, 2003
6SIJ
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BU of 6sij by Molmil
SAD structure of Hen Egg White Lysozyme recovered by continuous rotation data collection and multivariate analysis of Friedel pairs
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Garcia-Bonete, M.J, Katona, G.
Deposit date:2019-08-10
Release date:2019-11-06
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.61018026 Å)
Cite:Bayesian machine learning improves single-wavelength anomalous diffraction phasing.
Acta Crystallogr.,Sect.A, 75, 2019
6SBT
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BU of 6sbt by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with N-(7-(1H-imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl benzamide at 2.3 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ...
Authors:Moellerud, S, Frydenvang, K, Kastrup, J.S.
Deposit date:2019-07-22
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-(7-(1H-Imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide, a New Kainate Receptor Selective Antagonist and Analgesic: Synthesis, X-ray Crystallography, Structure-Affinity Relationships, and in Vitro and in Vivo Pharmacology.
Acs Chem Neurosci, 10, 2019
1UKO
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BU of 1uko by Molmil
Crystal structure of soybean beta-amylase mutant substituted at surface region
Descriptor: Beta-amylase, SULFATE ION
Authors:Kang, Y.N, Adachi, M, Mikami, B, Utsumi, S.
Deposit date:2003-08-30
Release date:2004-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Change in the crystal packing of soybean beta-amylase mutants substituted at a few surface amino acid residues
Protein Eng., 16, 2003
6SIM
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BU of 6sim by Molmil
SAD structure of Hen Egg White Lysozyme recovered by inverse beam geometry data collection and univariate analysis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Garcia-Bonete, M.J, Katona, G.
Deposit date:2019-08-10
Release date:2019-11-06
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.61018026 Å)
Cite:Bayesian machine learning improves single-wavelength anomalous diffraction phasing.
Acta Crystallogr.,Sect.A, 75, 2019
1UUD
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BU of 1uud by Molmil
NMR structure of a synthetic small molecule, rbt203, bound to HIV-1 TAR RNA
Descriptor: N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE, RNA (5'-(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP *CP*CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*UP*CP*UP*GP*CP*C) -3')
Authors:Davis, B, Afshar, M, Varani, G, Karn, J, Murchie, A.I.H, Lentzen, G, Drysdale, M.J, Potter, A.J, Bower, J, Aboul-Ela, F.
Deposit date:2003-12-18
Release date:2004-03-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rational Design of Inhibitors of HIV-1 Tar RNA Through the Stabilisation of Electrostatic "Hot Spots"
J.Mol.Biol., 336, 2004
1US8
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BU of 1us8 by Molmil
The Rad50 signature motif: essential to ATP binding and biological function
Descriptor: DNA DOUBLE-STRAND BREAK REPAIR RAD50 ATPASE
Authors:Moncalian, G, Lengsfeld, B, Bhaskara, V, Hopfner, K.P, Karcher, A, Alden, E, Tainer, J.A, Paull, T.T.
Deposit date:2003-11-20
Release date:2003-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Rad50 Signature Motif: Essential to ATP Binding and Biological Function
J.Mol.Biol., 335, 2004
6TE6
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BU of 6te6 by Molmil
Crystal structure of Dot1L in complex with an inhibitor (compound 3).
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, ~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine
Authors:Scheufler, C, Stauffer, F, Be, C, Moebitz, H.
Deposit date:2019-11-11
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
6TB0
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BU of 6tb0 by Molmil
Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii
Descriptor: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2019-10-31
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020
7KQV
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BU of 7kqv by Molmil
Crystal Structure of aldehyde dehydrogenase (ChALDH) from Cladosporium herbarum
Descriptor: Aldehyde dehydrogenase
Authors:Lee, S.G, Jez, J.M.
Deposit date:2020-11-17
Release date:2021-11-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family.
Transgenic Res, 31, 2022

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