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2C7X
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BU of 2c7x by Molmil
Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1)
Descriptor: CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
Deposit date:2005-11-29
Release date:2006-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2BVJ
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BU of 2bvj by Molmil
Ligand-free structure of cytochrome P450 PikC (CYP107L1)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ...
Authors:Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M.
Deposit date:2005-06-28
Release date:2006-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
1DSA
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BU of 1dsa by Molmil
(+)-DUOCARMYCIN SA COVALENTLY LINKED TO DUPLEX DNA, NMR, 20 STRUCTURES
Descriptor: 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3')
Authors:Eis, P.S, Smith, J.A, Case, D.A, Chazin, W.J.
Deposit date:1997-05-08
Release date:1997-08-20
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:High resolution solution structure of a DNA duplex alkylated by the antitumor agent duocarmycin SA.
J.Mol.Biol., 272, 1997
6XKL
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BU of 6xkl by Molmil
SARS-CoV-2 HexaPro S One RBD up
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wrapp, D, Hsieh, C.-L, Goldsmith, J.A, McLellan, J.S.
Deposit date:2020-06-26
Release date:2020-07-15
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structure-based design of prefusion-stabilized SARS-CoV-2 spikes.
Science, 369, 2020
2K21
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BU of 2k21 by Molmil
NMR structure of human KCNE1 in LMPG micelles at pH 6.0 and 40 degree C
Descriptor: Potassium voltage-gated channel subfamily E member
Authors:Kang, C, Tian, C, Sonnichsen, F.D, Smith, J.A, Meiler, J, George, A.L, Vanoye, C.G, Sanders, C.R, Kim, H.
Deposit date:2008-03-19
Release date:2008-12-09
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Structure of KCNE1 and implications for how it modulates the KCNQ1 potassium channel.
Biochemistry, 47, 2008
6VSB
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BU of 6vsb by Molmil
Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wrapp, D, Wang, N, Corbett, K.S, Goldsmith, J.A, Hsieh, C, Abiona, O, Graham, B.S, McLellan, J.S.
Deposit date:2020-02-10
Release date:2020-02-26
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation.
Science, 367, 2020
4XAC
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BU of 4xac by Molmil
Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca complexed with 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, EvdO2, IMIDAZOLE, ...
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-13
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XCA
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BU of 4xca by Molmil
Crystal Structure of HygX from Streptomyces hygroscopicus with nickel and 2-oxoglutarate bound
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, CESIUM ION, ...
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-17
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XAB
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BU of 4xab by Molmil
Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca
Descriptor: EvdO2, IMIDAZOLE, NICKEL (II) ION
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-13
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XAA
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BU of 4xaa by Molmil
Crystal Structure of AviO1 from Streptomyces viridochromogenes Tue57
Descriptor: NICKEL (II) ION, Putative oxygenase
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-13
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XCB
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BU of 4xcb by Molmil
Crystal Structure of HygX from Streptomyces hygroscopicus with nickel, 2-oxoglutarate, and hygromycin B bound
Descriptor: 2-OXOGLUTARIC ACID, HYGROMYCIN B VARIANT, NICKEL (II) ION, ...
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-17
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XBZ
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BU of 4xbz by Molmil
Crystal Structure of EvdO1 from Micromonospora carbonacea var. aurantiaca
Descriptor: EvdO1, GLYCEROL, NICKEL (II) ION
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-17
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XC9
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BU of 4xc9 by Molmil
Crystal Structure of apo HygX from Streptomyces hygroscopicus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, oxidase/hydroxylase
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-17
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
3ZCM
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BU of 3zcm by Molmil
Small molecule inhibitors of the LEDGF site of HIV integrase identified by fragment screening and structure based design.
Descriptor: 5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2012-11-21
Release date:2012-12-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
5KZO
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BU of 5kzo by Molmil
Notch1 transmembrane and associated juxtamembrane segment
Descriptor: Neurogenic locus notch homolog protein 1
Authors:Deatherage, C.L, Lu, Z, Kroncke, B.
Deposit date:2016-07-25
Release date:2017-05-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and biochemical differences between the Notch and the amyloid precursor protein transmembrane domains.
Sci Adv, 3, 2017
7NS6
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BU of 7ns6 by Molmil
SARS-CoV-2 Spike (dimers) in complex with six Fu2 nanobodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fu2 nanobody, Spike glycoprotein,Fibritin, ...
Authors:Das, H, Hallberg, B.M.
Deposit date:2021-03-05
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A bispecific monomeric nanobody induces spike trimer dimers and neutralizes SARS-CoV-2 in vivo.
Nat Commun, 13, 2022
7KMH
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BU of 7kmh by Molmil
LY-CoV488 neutralizing antibody against SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ...
Authors:Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A.
Deposit date:2020-11-02
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7KMI
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BU of 7kmi by Molmil
LY-CoV481 neutralizing antibody against SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV481 Fab heavy chain, ...
Authors:Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
Deposit date:2020-11-02
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7KMG
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BU of 7kmg by Molmil
LY-CoV555 neutralizing antibody against SARS-CoV-2
Descriptor: GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ...
Authors:Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
Deposit date:2020-11-02
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7SNM
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BU of 7snm by Molmil
Lanosterol-bound P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus
Descriptor: Cytochrome P450 51, LANOSTEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lepesheva, G.I, Hargrove, T, Wawrzak, Z.
Deposit date:2021-10-28
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Unravelling the role of transient redox partner complexes in P450 electron transfer mechanics.
Sci Rep, 12, 2022
4ZPI
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BU of 4zpi by Molmil
Crystal Structure of HygX from Streptomyces hygroscopicus with iron bound
Descriptor: FE (II) ION, Putative oxidase/hydroxylase, SUCCINIC ACID
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4IJM
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BU of 4ijm by Molmil
Crystal structure of circadian clock protein KaiC A422V mutant
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION, ...
Authors:Egli, M, Pattanayek, R.
Deposit date:2012-12-21
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.352 Å)
Cite:Loop-Loop Interactions Regulate KaiA-Stimulated KaiC Phosphorylation in the Cyanobacterial KaiABC Circadian Clock.
Biochemistry, 52, 2013
2CD8
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BU of 2cd8 by Molmil
Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1)
Descriptor: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M.
Deposit date:2006-01-20
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
4L5I
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BU of 4l5i by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-11
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
3NF8
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BU of 3nf8 by Molmil
Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design
Descriptor: 6-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ...
Authors:Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D.
Deposit date:2010-06-09
Release date:2011-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011

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