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1Q7O
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BU of 1q7o by Molmil
Determination of f-MLF-OH Peptide Structure with solid-state magic-angle spinning NMR Spectroscopy
Descriptor: chemotactic peptide
Authors:Rienstra, C.M, Tucker-Kellogg, L, Jaroniec, C.P, Hohwy, M, Reif, B, McMahon, M.T, Tidor, B, Lozano-Perez, T, Griffin, R.G.
Deposit date:2003-08-19
Release date:2003-09-09
Last modified:2022-03-02
Method:SOLID-STATE NMR
Cite:De novo determination of peptide structure with solid-state magic-angle spinning NMR Spectroscopy
Proc.Natl.Acad.Sci.USA, 99, 2002
1LK6
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BU of 1lk6 by Molmil
Structure of dimeric antithrombin complexed with a P14-P9 reactive loop peptide and an exogenous tripeptide
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhou, A, Huntington, J.A, Lomas, D.A, Carrell, R.W, Stein, P.E.
Deposit date:2002-04-24
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Serpin Polymerization Is Prevented by a Hydrogen Bond Network That Is Centered on His-334 and Stabilized by Glycerol
J.Biol.Chem., 278, 2003
1B1X
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BU of 1b1x by Molmil
STRUCTURE OF DIFERRIC MARE LACTOFERRIN AT 2.62A RESOLUTION
Descriptor: CARBONATE ION, FE (III) ION, LACTOFERRIN
Authors:Sharma, A.K, Srinivasan, A, Singh, T.P.
Deposit date:1998-11-24
Release date:1999-06-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Three-dimensional structure of mare diferric lactoferrin at 2.6 A resolution.
J.Mol.Biol., 289, 1999
8J6G
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BU of 8j6g by Molmil
Neutron structure of copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pD 9.0
Descriptor: 2-PHENYLETHYLAMINE, COPPER (II) ION, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Okajima, T.
Deposit date:2023-04-25
Release date:2023-09-20
Method:NEUTRON DIFFRACTION (1.09 Å), X-RAY DIFFRACTION
Cite:Neutron Crystallography of a Semiquinone Radical Intermediate of Copper Amine Oxidase Reveals a Substrate-Assisted Conformational Change of the Peptidyl Quinone Cofactor
Acs Catalysis, 2023
3U2J
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BU of 3u2j by Molmil
Neutron crystal structure of human Transthyretin
Descriptor: Transthyretin
Authors:Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N.
Deposit date:2011-10-03
Release date:2012-02-22
Last modified:2023-11-01
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
J.Struct.Biol., 177, 2012
4QCD
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BU of 4qcd by Molmil
Neutron crystal structure of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin IXalpha at room temperature.
Descriptor: BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase, trideuteriooxidanium
Authors:Unno, M, Ishikawa-Suto, K, Ishihara, M, Hagiwara, Y, Sugishima, M, Wada, K, Fukuyama, K.
Deposit date:2014-05-10
Release date:2015-04-29
Last modified:2024-03-20
Method:NEUTRON DIFFRACTION (1.932 Å), X-RAY DIFFRACTION
Cite:Insights into the Proton Transfer Mechanism of a Bilin Reductase PcyA Following Neutron Crystallography.
J. Am. Chem. Soc., 137, 2015
8W6X
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BU of 8w6x by Molmil
Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Hiromoto, T, Tamada, T.
Deposit date:2023-08-30
Release date:2023-09-13
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION
Cite:New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase.
Chem Sci, 14, 2023
8W48
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BU of 8w48 by Molmil
Neutron and X-ray joint structure of WT-TTR in complex with piceatannol
Descriptor: PICEATANNOL, Transthyretin
Authors:Yokoyama, T, Kusaka, K, Fujiwara, S.
Deposit date:2023-08-23
Release date:2023-11-22
Last modified:2023-12-06
Method:NEUTRON DIFFRACTION (1.19 Å), X-RAY DIFFRACTION
Cite:Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
5CG5
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BU of 5cg5 by Molmil
Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION
Authors:Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I.
Deposit date:2015-07-09
Release date:2015-10-14
Last modified:2024-03-20
Method:NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION
Cite:Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
4V9Q
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BU of 4v9q by Molmil
Crystal Structure of Blasticidin S Bound to Thermus Thermophilus 70S Ribosome.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Ling, C, Ermolenko, D.N, Korostelev, A.A.
Deposit date:2013-06-12
Release date:2014-07-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Blasticidin S inhibits translation by trapping deformed tRNA on the ribosome.
Proc.Natl.Acad.Sci.USA, 110, 2013
6KK8
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BU of 6kk8 by Molmil
XN joint refinement of manganese catalase from Thermus Thermophilus HB27
Descriptor: 1,2-ETHANEDIOL, MANGANESE (III) ION, OXYGEN ATOM, ...
Authors:Yamada, T, Yano, N, Kusaka, K.
Deposit date:2019-07-24
Release date:2019-09-04
Last modified:2024-03-27
Method:NEUTRON DIFFRACTION (1.37 Å), X-RAY DIFFRACTION
Cite:Single-crystal time-of-flight neutron Laue methods: application to manganese catalase from Thermus thermophilus HB27
J.Appl.Crystallogr., 2019
4V6F
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BU of 4v6f by Molmil
Elongation complex of the 70S ribosome with three tRNAs and mRNA.
Descriptor: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 23S RRNA, ...
Authors:Jenner, L.B, Yusupova, G, Yusupov, M.
Deposit date:2009-07-09
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural aspects of messenger RNA reading frame maintenance by the ribosome.
Nat.Struct.Mol.Biol., 17, 2010
6L9C
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BU of 6l9c by Molmil
Neutron structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4
Descriptor: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION
Authors:Murakawa, T, Kurihara, K, Shoji, M, Shibazaki, C, Sunami, T, Tamada, T, Yano, N, Yamada, T, Kusaka, K, Suzuki, M, Shigeta, Y, Kuroki, R, Hayashi, H, Yano, Y, Tanizawa, K, Adachi, M, Okajima, T.
Deposit date:2019-11-08
Release date:2020-04-29
Last modified:2023-11-22
Method:NEUTRON DIFFRACTION (1.14 Å), X-RAY DIFFRACTION
Cite:Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L46
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BU of 6l46 by Molmil
High-resolution neutron and X-ray joint refined structure of copper-containing nitrite reductase from Geobacillus thermodenitrificans
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Fukuda, Y, Hirano, Y, Kusaka, K, Inoue, T, Tamada, T.
Deposit date:2019-10-16
Release date:2020-02-12
Last modified:2024-03-27
Method:NEUTRON DIFFRACTION (1.3 Å), X-RAY DIFFRACTION
Cite:High-resolution neutron crystallography visualizes an OH-bound resting state of a copper-containing nitrite reductase.
Proc.Natl.Acad.Sci.USA, 117, 2020
7VEI
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BU of 7vei by Molmil
Neutron structure of D2O-solvent lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, NICKEL (II) ION
Authors:Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S.
Deposit date:2021-09-08
Release date:2022-04-06
Last modified:2023-11-29
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7VOS
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BU of 7vos by Molmil
High-resolution neutron and X-ray joint refined structure of high-potential iron-sulfur protein in the oxidized state
Descriptor: AMMONIUM ION, GLYCEROL, High-potential iron-sulfur protein, ...
Authors:Hanazono, Y, Hirano, Y, Takeda, K, Kusaka, K, Tamada, T, Miki, K.
Deposit date:2021-10-14
Release date:2022-06-01
Method:NEUTRON DIFFRACTION (0.66 Å), X-RAY DIFFRACTION
Cite:Revisiting the concept of peptide bond planarity in an iron-sulfur protein by neutron structure analysis.
Sci Adv, 8, 2022
7WNO
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BU of 7wno by Molmil
Crystallographic structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 determined by only neutron diffraction data.
Descriptor: COPPER (II) ION, Phenylethylamine oxidase
Authors:Murakawa, T, Okajima, T.
Deposit date:2022-01-19
Release date:2022-04-20
Last modified:2022-05-25
Method:NEUTRON DIFFRACTION (1.72 Å)
Cite:Re-evaluation of protein neutron crystallography with and without X-ray/neutron joint refinement.
Iucrj, 9, 2022
7WNP
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BU of 7wnp by Molmil
Crystallographic structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 determined by both X-ray and neutron diffraction data at 1.72 angstrom resolution.
Descriptor: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION
Authors:Murakawa, T, Okajima, T.
Deposit date:2022-01-19
Release date:2022-04-20
Last modified:2022-05-25
Method:NEUTRON DIFFRACTION (1.72 Å), X-RAY DIFFRACTION
Cite:Re-evaluation of protein neutron crystallography with and without X-ray/neutron joint refinement.
Iucrj, 9, 2022
7XVX
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BU of 7xvx by Molmil
Neutron crystal structure of human macrophage migration inhibitory factor
Descriptor: Macrophage migration inhibitory factor
Authors:Ezawa, T, Tamada, T, Odaka, M, Matsumura, H.
Deposit date:2022-05-25
Release date:2023-05-31
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Neutron crystal structure of human macrophage migration inhibitory factor
To Be Published
7YKB
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BU of 7ykb by Molmil
Neutron Structure of PcyA D105N Mutant Complexed with Biliverdin at Room Temperature
Descriptor: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION
Authors:Unno, M, Nanasawa, R.
Deposit date:2022-07-22
Release date:2023-01-25
Method:NEUTRON DIFFRACTION (1.38 Å), X-RAY DIFFRACTION
Cite:Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states.
J.Biol.Chem., 299, 2022
7Y7A
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BU of 7y7a by Molmil
In situ double-PBS-PSII-PSI-LHCs megacomplex from Porphyridium purpureum.
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sun, S, Sui, S.F.
Deposit date:2022-06-22
Release date:2023-02-08
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Nature, 616, 2023
7YQS
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BU of 7yqs by Molmil
Neutron structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ...
Authors:Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S.
Deposit date:2022-08-08
Release date:2023-08-09
Last modified:2024-03-27
Method:NEUTRON DIFFRACTION (1.25 Å), X-RAY DIFFRACTION
Cite:Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography.
J.Biol.Chem., 300, 2024
7YL8
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BU of 7yl8 by Molmil
Neutron structure of Bacillus thermoproteolyticus Ferredoxin at room temperature
Descriptor: Ferredoxin, IRON/SULFUR CLUSTER
Authors:Unno, M, Wada, K, Kobayashi, K.
Deposit date:2022-07-25
Release date:2024-02-07
Method:NEUTRON DIFFRACTION (1.45 Å), X-RAY DIFFRACTION
Cite:Protonation/deprotonation-driven switch for the redox stability of the low-potential [4Fe-4S] ferredoxin
To Be Published
3H1U
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BU of 3h1u by Molmil
Structure of ubiquitin in complex with Cd ions
Descriptor: CADMIUM ION, Ubiquitin
Authors:Qureshi, I.A, Ferron, F, Cheung, P, Lescar, J.
Deposit date:2009-04-14
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic structure of ubiquitin in complex with cadmium ions
BMC RES NOTES, 2, 2009
2R1S
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BU of 2r1s by Molmil
Structure of the RNA brominated tridecamer r(GCGUU-5BUGAAACGC) at 1.4 A (Br1)
Descriptor: MAGNESIUM ION, RNA (5'-R(*GP*CP*GP*UP*UP*(5BU)P*GP*AP*AP*AP*CP*GP*C)-3'), SODIUM ION
Authors:Timsit, Y, Bombard, S.
Deposit date:2007-08-23
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The 1.3 A resolution structure of the RNA tridecamer r(GCGUUUGAAACGC): Metal ion binding correlates with base unstacking and groove contraction.
Rna, 13, 2007

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