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5NH0
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BU of 5nh0 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-03-21
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
1NM8
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BU of 1nm8 by Molmil
Structure of Human Carnitine Acetyltransferase: Molecular Basis for Fatty Acyl Transfer
Descriptor: Carnitine O-acetyltransferase
Authors:Wu, D, Govindasamy, L, Lian, W, Gu, Y, Kukar, T, Agbandje-McKenna, M, McKenna, R.
Deposit date:2003-01-09
Release date:2003-03-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Human Carnitine Acetyltransferase. Molecular Basis for Fatty Acyl Transfer
J.Biol.Chem., 278, 2003
6GPU
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BU of 6gpu by Molmil
Crystal structure of miniSOG at 1.17A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, COBALT (II) ION, ...
Authors:Lafaye, C, Signor, L, Aumonier, S, Shu, X, Gotthard, G, Royant, A.
Deposit date:2018-06-07
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Tailing miniSOG: structural bases of the complex photophysics of a flavin-binding singlet oxygen photosensitizing protein.
Sci Rep, 9, 2019
8C5G
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BU of 8c5g by Molmil
Structure of human Neuropilin-1 b1b2 domains in complex with Chlorotoxin (Leiurus quinquestriatus)
Descriptor: Chlorotoxin, Neuropilin-1
Authors:Boros, E, Ecsedi, P, Szakacs, D, Nyitray, L.
Deposit date:2023-01-09
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of human Neuropilin-1 b1b2 domains in complex with Chlorotoxin (Leiurus quinquestriatus)
To Be Published
8R3T
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BU of 8r3t by Molmil
Cofactor-free Tau 4R2N isoform
Descriptor: Microtubule-associated protein tau
Authors:Limorenko, G, Tatli, M, Kolla, R, Nazarov, S, Weil, M.T, Schondorf, D.C, Geist, D, Reinhardt, P, Ehrnhoefer, D.E, Stahlberg, H, Gasparini, L, Lashuel, H.A.
Deposit date:2023-11-10
Release date:2023-12-06
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Fully co-factor-free ClearTau platform produces seeding-competent Tau fibrils for reconstructing pathological Tau aggregates.
Nat Commun, 14, 2023
8R1G
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BU of 8r1g by Molmil
Dimeric ternary structure of E6AP-E6-p53
Descriptor: Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ...
Authors:Sandate, C.R, Chakrabory, D, Kater, L, Kempf, G, Thoma, N.H.
Deposit date:2023-11-01
Release date:2023-12-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:Structural insights into viral hijacking of p53 by E6 and E6AP
Biorxiv, 2023
8R5J
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BU of 8r5j by Molmil
Crystal structure of MERS-CoV main protease
Descriptor: Non-structural protein 11
Authors:Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-11-16
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Crystal structure of MERS-CoV main protease
To Be Published
1CJX
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BU of 1cjx by Molmil
CRYSTAL STRUCTURE OF PSEUDOMONAS FLUORESCENS HPPD
Descriptor: 4-HYDROXYPHENYLPYRUVATE DIOXYGENASE, ACETATE ION, ETHYL MERCURY ION, ...
Authors:Serre, L, Sailland, A, Sy, D, Boudec, P, Rolland, A, Pebay-Peroulla, E, Cohen-Addad, C.
Deposit date:1999-04-20
Release date:2000-04-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Pseudomonas fluorescens 4-hydroxyphenylpyruvate dioxygenase: an enzyme involved in the tyrosine degradation pathway.
Structure Fold.Des., 7, 1999
8SBK
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BU of 8sbk by Molmil
Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI (ATG2A).
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, LEU-TYR-LEU-PRO-VAL-ARG-VAL-LEU-ILE, ...
Authors:Mallik, L, Young, M.C, Sgourakis, N.G.
Deposit date:2023-04-03
Release date:2023-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
8R1F
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BU of 8r1f by Molmil
Monomeric E6AP-E6-p53 ternary complex
Descriptor: Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ...
Authors:Sandate, C.R, Chakraborty, D, Kater, L, Kempf, G, Thoma, N.H.
Deposit date:2023-11-01
Release date:2023-12-06
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural insights into viral hijacking of p53 by E6 and E6AP
Biorxiv, 2023
8SBL
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BU of 8sbl by Molmil
Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI
Descriptor: Beta-2-microglobulin, LEU-TYR-LEU-PRO-VAL-ARG-VAL-LEU-ILE, MHC class I antigen
Authors:Mallik, L, Young, M.C, Sgourakis, N.G.
Deposit date:2023-04-03
Release date:2023-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
8CD0
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BU of 8cd0 by Molmil
Human heparan sulfate N-deacetylase-N-sulfotransferase 1 in complex with calcium, 3'-phosphoadenosine-5'-phosphosulfate, and nanobody nAb7 (composite map and model)
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1, CALCIUM ION, ...
Authors:Mycroft-West, C.J, Wu, L.
Deposit date:2023-01-29
Release date:2024-02-07
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Structural and mechanistic characterization of bifunctional heparan sulfate N-deacetylase-N-sulfotransferase 1.
Nat Commun, 15, 2024
5MUH
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BU of 5muh by Molmil
Crystal structure of an amyloidogenic light chain dimer H7
Descriptor: light chain dimer
Authors:Oberti, L, Rognoni, P, Russo, R, Maritan, M, Bacarizo, J, Bolognesi, M, Ricagno, S.
Deposit date:2017-01-13
Release date:2017-12-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity.
Sci Rep, 7, 2017
5MV1
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BU of 5mv1 by Molmil
Crystal structure of the E protein of the Japanese encephalitis virulent virus
Descriptor: E protein
Authors:Liu, X, Zhao, X, Na, R, Li, L, Warkentin, E, Witt, J, Lu, X, Wei, Y, Peng, G, Li, Y, Wang, J.
Deposit date:2017-01-14
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The structure differences of Japanese encephalitis virus SA14 and SA14-14-2 E proteins elucidate the virulence attenuation mechanism.
Protein Cell, 10, 2019
5Z4J
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BU of 5z4j by Molmil
Structure of Tailor in complex with U4 RNA
Descriptor: RNA (5'-R(*UP*UP*UP*U)-3'), Terminal uridylyltransferase Tailor
Authors:Cheng, L, Li, F, Jiang, Y, Yu, H, Xie, C, Shi, Y, Gong, Q.
Deposit date:2018-01-11
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural insights into a unique preference for 3' terminal guanine of mirtron in Drosophila TUTase tailor.
Nucleic Acids Res., 47, 2019
5YUF
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BU of 5yuf by Molmil
Crystal Structure of PML RING tetramer
Descriptor: Protein PML, ZINC ION
Authors:Wang, P, Benhend, S, Wu, H, Breitenbach, V, Zhen, T, Jollivet, F, Peres, L, Li, Y, Chen, S, Chen, Z, de THE, H, Meng, G.
Deposit date:2017-11-22
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RING tetramerization is required for nuclear body biogenesis and PML sumoylation.
Nat Commun, 9, 2018
4C3Q
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BU of 4c3q by Molmil
Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1
Authors:Coates, L, Tomanicek, S.J, Schrader, T, Weiss, K.L, Ng, J.D, Ostermann, A.
Deposit date:2013-08-26
Release date:2014-07-09
Last modified:2024-10-16
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits
J.Appl.Crystallogr., 47, 2014
4C02
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BU of 4c02 by Molmil
Crystal structure of human ACVR1 (ALK2) in complex with FKBP12.6 and dorsomorphin
Descriptor: 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, ACTIVIN RECEPTOR TYPE-1, ...
Authors:Williams, E, Riesebos, E, Vollmar, M, Krojer, T, Bradley, A, Shrestha, L, Kupinska, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-07-31
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal Structure of Human Acvr1 (Alk2) in Complex with Fkbp12.6 And Dorsomorphin
Ph D Thesis
8R79
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BU of 8r79 by Molmil
The D2 domain of human DTX3L
Descriptor: E3 ubiquitin-protein ligase DTX3L, SULFATE ION
Authors:Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T.
Deposit date:2023-11-24
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Oligomerisation mediated by the D2 domain of DTX3L is critical for DTX3L-PARP9 reading function of mono-ADP-ribosylated androgen receptor.
Biorxiv, 2023
1CQW
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BU of 1cqw by Molmil
NAI COCRYSTALLISED WITH HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES
Descriptor: HALOALKANE DEHALOGENASE; 1-CHLOROHEXANE HALIDOHYDROLASE, IODIDE ION
Authors:Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C.
Deposit date:1999-08-11
Release date:1999-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Biochemistry, 38, 1999
5Z56
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BU of 5z56 by Molmil
cryo-EM structure of a human activated spliceosome (mature Bact) at 5.1 angstrom.
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ...
Authors:Zhang, X, Yan, C, Zhan, X, Li, L, Lei, J, Shi, Y.
Deposit date:2018-01-17
Release date:2018-09-19
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Structure of the human activated spliceosome in three conformational states.
Cell Res., 28, 2018
5YWP
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BU of 5ywp by Molmil
JEV-2H4 Fab complex
Descriptor: 2H4 heavy chain, 2H4 light chain, JEV E protein, ...
Authors:Qiu, X.D, Lei, Y.F, Yang, P, Gao, Q, WANG, N, Cao, L, Yuan, S, Wang, X.X, Xu, Z.K, Rao, Z.H.
Deposit date:2017-11-29
Release date:2018-05-02
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
8CCY
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BU of 8ccy by Molmil
Human heparan sulfate N-deacetylase-N-sulfotransferase 1 in complex with calcium and 3'-phosphoadenosine-5'-phosphosulfate
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1, CALCIUM ION
Authors:Mycroft-West, C.J, Wu, L.
Deposit date:2023-01-28
Release date:2024-02-07
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural and mechanistic characterization of bifunctional heparan sulfate N-deacetylase-N-sulfotransferase 1.
Nat Commun, 15, 2024
5MGI
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BU of 5mgi by Molmil
Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor.
Descriptor: (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L.
Deposit date:2016-11-21
Release date:2018-03-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance.
Chemmedchem, 13, 2018
8CD4
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BU of 8cd4 by Molmil
structure of HEX-1 from N. crassa crystallized in cellulo (cytosol), diffracted at 100K and resolved using CrystFEL
Descriptor: Woronin body major protein
Authors:Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L.
Deposit date:2023-01-30
Release date:2024-02-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024

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