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1EUH
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BU of 1euh by Molmil
APO FORM OF A NADP DEPENDENT ALDEHYDE DEHYDROGENASE FROM STREPTOCOCCUS MUTANS
Descriptor: NADP DEPENDENT NON PHOSPHORYLATING GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, SULFATE ION
Authors:Cobessi, D, Tete-Favier, F, Marchal, S, Branlant, G, Aubry, A.
Deposit date:1998-11-05
Release date:1999-07-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Apo and holo crystal structures of an NADP-dependent aldehyde dehydrogenase from Streptococcus mutans.
J.Mol.Biol., 290, 1999
7ZVF
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BU of 7zvf by Molmil
Crystal structure of human cathepsin L in complex with covalently bound CLIK148
Descriptor: (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide, 1,2-ETHANEDIOL, Cathepsin L, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Tsuge, H, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-05-15
Release date:2023-11-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
2M94
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BU of 2m94 by Molmil
NMR structure of the lymphocyte receptor NKR-P1A
Descriptor: Killer cell lectin-like receptor subfamily B member 1A
Authors:Chmelik, J, Rozbesky, D, Pospisilova, E, Novak, P.
Deposit date:2013-05-31
Release date:2014-06-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structure of the lymphocyte receptor NKR-P1A reveals a different conformation of the conserved loop compared to crystal structure
To be Published
3WDC
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BU of 3wdc by Molmil
N-terminal domain of Mycobacterium tuberculosis ClpC1 bound to Cyclomarin A
Descriptor: ACETATE ION, Cyclomarin A, Probable ATP-dependent Clp protease ATP-binding subunit
Authors:Vasudevan, D, Noble, C.G.
Deposit date:2013-06-14
Release date:2013-09-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural basis of mycobacterial inhibition by cyclomarin A
J.Biol.Chem., 288, 2013
6SRH
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BU of 6srh by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-09-05
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
To Be Published
6SS0
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BU of 6ss0 by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021181
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab C0021181 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6SPE
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BU of 6spe by Molmil
Pseudomonas aeruginosa 30s ribosome from a clinical isolate
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A.
Deposit date:2019-09-01
Release date:2019-10-16
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate.
Proc.Natl.Acad.Sci.USA, 116, 2019
6SU7
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BU of 6su7 by Molmil
Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and 3,4-Dichloroaniline
Descriptor: 3,4-Dichloroaniline, Glycosyltransferase
Authors:Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H.
Deposit date:2019-09-13
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
3WP8
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BU of 3wp8 by Molmil
Acinetobacter sp. Tol 5 AtaA C-terminal Ylhead fused to GCN4 adaptors (Chead)
Descriptor: Trimeric autotransporter adhesin
Authors:Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
Deposit date:2014-01-10
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
1E6P
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BU of 1e6p by Molmil
Chitinase B from Serratia marcescens inactive mutant E144Q
Descriptor: CHITINASE B, GLYCEROL, SULFATE ION
Authors:Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2000-08-22
Release date:2001-06-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
3D3Q
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BU of 3d3q by Molmil
Crystal structure of tRNA delta(2)-isopentenylpyrophosphate transferase (SE0981) from Staphylococcus epidermidis. Northeast Structural Genomics Consortium target SeR100
Descriptor: tRNA delta(2)-isopentenylpyrophosphate transferase
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Xiao, R, Maglaqui, M, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-05-12
Release date:2008-07-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of tRNA delta(2)-isopentenylpyrophosphate transferase (SE0981) from Staphylococcus epidermidis.
To be Published
3CY0
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BU of 3cy0 by Molmil
Crystal structure of cytochrome P450 CYP121 S237A mutant from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterisation of active site structure of cytochrome CYP121
TO BE PUBLISHED
6T0Z
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BU of 6t0z by Molmil
Crystal structure of YTHDC1 with fragment 23 (ACA_DC1_005)
Descriptor: SULFATE ION, YTHDC1, ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-03
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
8B0H
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BU of 8b0h by Molmil
2C9, C5b9-CD59 cryoEM structure
Descriptor: CD59 glycoprotein, Complement C5, Complement component C6, ...
Authors:Couves, E.C, Gardner, S, Bubeck, D.
Deposit date:2022-09-07
Release date:2023-02-22
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
3ILD
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BU of 3ild by Molmil
Structure of ORF157-K57A from Acidianus filamentous virus 1
Descriptor: MAGNESIUM ION, Putative uncharacterized protein
Authors:Goulet, A, Lichiere, J, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
Deposit date:2009-08-07
Release date:2010-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease
J.Virol., 84, 2010
2MME
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BU of 2mme by Molmil
Hybrid structure of the Shigella flexneri MxiH Type three secretion system needle
Descriptor: MxiH
Authors:Demers, J.P, Habenstein, B, Loquet, A, Vasa, S.K, Becker, S, Baker, D, Lange, A, Sgourakis, N.G.
Deposit date:2014-03-14
Release date:2014-10-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (7.7 Å), SOLID-STATE NMR
Cite:High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy.
Nat Commun, 5, 2014
6SX6
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BU of 6sx6 by Molmil
Guanine-rich oligonucleotide with 5'-GC end form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pairs
Descriptor: GCn
Authors:Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P.
Deposit date:2019-09-25
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly.
Nucleic Acids Res., 48, 2020
6SXE
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BU of 6sxe by Molmil
Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Endoxifen (2.6 Angstrom resolution)
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, Endoxifen, HEGA-10, ...
Authors:Sula, A, Hollingworth, D, Wallace, B.A.
Deposit date:2019-09-25
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
3WRB
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BU of 3wrb by Molmil
Crystal structure of the anaerobic H124F DESb-Gallate complex
Descriptor: 3,4,5-trihydroxybenzoic acid, FE (II) ION, Gallate dioxygenase
Authors:Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T.
Deposit date:2014-02-21
Release date:2014-04-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6
Plos One, 9, 2014
2MWA
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BU of 2mwa by Molmil
NMR structure of FBP28 WW2 mutant Y446L
Descriptor: Transcription elongation regulator 1
Authors:Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T.
Deposit date:2014-11-03
Release date:2014-12-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
8AMZ
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BU of 8amz by Molmil
Spinach 19S proteasome
Descriptor: 26S proteasome non-ATPase regulatory subunit 1 homolog, 26S proteasome non-ATPase regulatory subunit 2 homolog, 26S proteasome regulatory subunit 7, ...
Authors:Kandolf, S, Grishkovskaya, I, Meinhart, A, Haselbach, D.
Deposit date:2022-08-04
Release date:2022-08-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the plant 26S proteasome
Plant Communications, 3, 2022
1E51
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BU of 1e51 by Molmil
Crystal structure of native human erythrocyte 5-aminolaevulinic acid dehydratase
Descriptor: 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, SULFATE ION, ...
Authors:Mills-Davies, N.L, Thompson, D, Cooper, J.B, Shoolingin-Jordan, P.M.
Deposit date:2000-07-13
Release date:2001-07-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:The Crystal Structure of Human Ala-Dehydratase
To be Published
3IV5
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BU of 3iv5 by Molmil
Crystal structure of Fis bound to 27 bp optimal binding sequence F1
Descriptor: DNA (27-MER), DNA-binding protein fis
Authors:Stella, S, Cascio, D, Johnson, R.C.
Deposit date:2009-08-31
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The shape of the DNA minor groove directs binding by the DNA-bending protein Fis.
Genes Dev., 24, 2010
6SK6
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BU of 6sk6 by Molmil
Cryo-EM structure of rhinovirus-B5
Descriptor: Rhinovirus B5 VP1, Rhinovirus B5 VP2, Rhinovirus B5 VP3, ...
Authors:Wald, J, Goessweiner-Mohr, N, Blaas, D, Pasin, M.
Deposit date:2019-08-14
Release date:2019-09-04
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
6T07
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BU of 6t07 by Molmil
Crystal structure of YTHDC1 with fragment 20 (DHU_DC1_134)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-02
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020

224004

數據於2024-08-21公開中

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