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8TEU
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BU of 8teu by Molmil
Human cytomegalovirus portal vertex, non-infectious enveloped particle (NIEP) configuration 2 - inverted (NC2-inv)
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ...
Authors:Jih, J, Liu, Y.T, Liu, W, Zhou, H.
Deposit date:2023-07-07
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (4.01 Å)
Cite:The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
8TWC
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BU of 8twc by Molmil
Acinetobacter phage AP205 T=3 VLP
Descriptor: Coat protein
Authors:Meng, R, Xing, Z, Zhang, J.
Deposit date:2023-08-20
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
4HBA
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BU of 4hba by Molmil
Structural and Catalytic Characterization of a Thermal and Acid Stable Variant of Human Carbonic Anhydrase II Containing an Engineered Disulfide Bond
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Boone, C.D, Habibzadegan, A, McKenna, R.
Deposit date:2012-09-27
Release date:2013-07-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structural and catalytic characterization of a thermally stable and acid-stable variant of human carbonic anhydrase II containing an engineered disulfide bond.
Acta Crystallogr.,Sect.D, 69, 2013
1OXO
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BU of 1oxo by Molmil
ASPARTATE AMINOTRANSFERASE, H-ASP COMPLEX, OPEN CONFORMATION
Descriptor: 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE
Authors:Hohenester, E, Schirmer, T, Jansonius, J.N.
Deposit date:1995-12-23
Release date:1996-06-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures and solution studies of oxime adducts of mitochondrial aspartate aminotransferase.
Eur.J.Biochem., 236, 1996
4H80
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BU of 4h80 by Molmil
Crystal structure of human ALDH3A1 with its isozyme selective inhibitor - N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]acetamide
Descriptor: Aldehyde dehydrogenase, dimeric NADP-preferring, N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide
Authors:Hurley, T.D, Parajuli, B.
Deposit date:2012-09-21
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Kinetic and Structural Characterization of a Selective Inhibitor for Human ALDH3A1
To be Published
4M3K
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BU of 4m3k by Molmil
Structure of a single domain camelid antibody fragment cAb-H7S in complex with the BlaP beta-lactamase from Bacillus licheniformis
Descriptor: Beta-lactamase, CHLORIDE ION, Camelid heavy-chain antibody variable fragment cAb-H7S
Authors:Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M.
Deposit date:2013-08-06
Release date:2014-08-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
7JYW
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BU of 7jyw by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWIIRNW, an 9-mer influenza epitope
Descriptor: Beta-2-microglobulin, CALCIUM ION, MHC class I antigen, ...
Authors:Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
Deposit date:2020-09-01
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
3A12
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BU of 3a12 by Molmil
Crystal structure of Type III Rubisco complexed with 2-CABP
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
Authors:Nishitani, Y, Fujihashi, M, Doi, T, Yoshida, S, Atomi, H, Imanaka, T, Miki, K.
Deposit date:2009-03-25
Release date:2010-04-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based catalytic optimization of a type III Rubisco from a hyperthermophile
J.Biol.Chem., 285, 2010
3EUF
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BU of 3euf by Molmil
Crystal structure of BAU-bound human uridine phosphorylase 1
Descriptor: 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE, PHOSPHATE ION, Uridine phosphorylase 1
Authors:Roosild, T.P.
Deposit date:2008-10-10
Release date:2009-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Implications of the structure of human uridine phosphorylase 1 on the development of novel inhibitors for improving the therapeutic window of fluoropyrimidine chemotherapy.
Bmc Struct.Biol., 9, 2009
7PNS
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BU of 7pns by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN081
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
Deposit date:2021-09-07
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
7K3D
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BU of 7k3d by Molmil
The structure of NTMT1 in complex with compound DC1-13
Descriptor: N-terminal Xaa-Pro-Lys N-methyltransferase 1, N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Chen, D, Huang, R, Noinaj, N.
Deposit date:2020-09-11
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure-based Discovery of Cell-Potent Peptidomimetic Inhibitors for Protein N-Terminal Methyltransferase 1.
Acs Med.Chem.Lett., 12, 2021
8T2L
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BU of 8t2l by Molmil
Crystal structure of LC3A in complex with the LIR of NSs4
Descriptor: Non-structural protein S,Microtubule-associated proteins 1A/1B light chain 3A chimera
Authors:Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
Deposit date:2023-06-06
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:An LIR motif in the Rift Valley fever virus NSs protein is critical for the interaction with LC3 family members and inhibition of autophagy.
Plos Pathog., 20, 2024
2RF7
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BU of 2rf7 by Molmil
Crystal structure of the escherichia coli nrfa mutant Q263E
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cytochrome c-552, ...
Authors:Clarke, T.A, Richardson, D.J, Hemmings, A.M.
Deposit date:2007-09-28
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Role of a Conserved Glutamine Residue in Tuning the Catalytic Activity of Escherichia coli Cytochrome c Nitrite Reductase.
Biochemistry, 47, 2008
1OM7
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BU of 1om7 by Molmil
CRYSTAL STRUCTURE OF A COLD ADAPTED ALKALINE PROTEASE FROM PSEUDOMONAS TAC II 18, SOAKED IN 85 mM EDTA
Descriptor: CALCIUM ION, SERRALYSIN, SULFATE ION
Authors:Ravaud, S, Gouet, P, Haser, R, Aghajari, N.
Deposit date:2003-02-25
Release date:2003-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Probing the role of divalent metal ions in a bacterial psychrophilic metalloprotease: binding studies of an enzyme in the crystalline state by x-ray crystallography.
J.Bacteriol., 185, 2003
7KCF
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BU of 7kcf by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-24512
Descriptor: 1,2-ETHANEDIOL, 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-10-05
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
1OMJ
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BU of 1omj by Molmil
CRYSTAL STRUCTURE OF A PSYCHROPHILIC ALKALINE PROTEASE FROM PSEUDOMONAS TAC II 18
Descriptor: CALCIUM ION, SERRALYSIN, SULFATE ION, ...
Authors:Ravaud, S, Gouet, P, Haser, R, Aghajari, N.
Deposit date:2003-02-25
Release date:2003-07-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Probing the role of divalent metal ions in a bacterial psychrophilic metalloprotease: binding studies of an enzyme in the crystalline state by x-ray crystallography.
J.Bacteriol., 185, 2003
5EVE
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BU of 5eve by Molmil
Crystal structure of Amb a 8 in complex with poly-Pro10
Descriptor: Poly-Proline peptide, Profilin
Authors:Offermann, L.R, Schlachter, C.R, Garrett, J, Chruszcz, M.
Deposit date:2015-11-19
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural, Functional, and Immunological Characterization of Profilin Panallergens Amb a 8, Art v 4, and Bet v 2.
J.Biol.Chem., 291, 2016
8T2N
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BU of 8t2n by Molmil
Crystal structure of GABARAP in complex with the LIR of NSs3
Descriptor: Gamma-aminobutyric acid receptor-associated protein, Non-structural protein S
Authors:Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
Deposit date:2023-06-06
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:An LIR motif in the Rift Valley fever virus NSs protein is critical for the interaction with LC3 family members and inhibition of autophagy.
Plos Pathog., 20, 2024
5EXR
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BU of 5exr by Molmil
Crystal structure of human primosome
Descriptor: DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase large subunit, ...
Authors:Tahirov, T.H, Baranovskiy, A.G, Babayeva, N.D.
Deposit date:2015-11-24
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Mechanism of Concerted RNA-DNA Primer Synthesis by the Human Primosome.
J.Biol.Chem., 291, 2016
8TEW
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BU of 8tew by Molmil
Human cytomegalovirus penton vertex, CVSC-bound configuration
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ...
Authors:Jih, J, Liu, Y.T, Liu, W, Zhou, H.
Deposit date:2023-07-07
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
4HBJ
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BU of 4hbj by Molmil
Bacterial Photosynthetic Reaction Center from Rhodobacter sphaeroides with ILE M265 replaced with GLN
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Mattis, A.J, Wraight, C.A.
Deposit date:2012-09-28
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Bacterial Photosynthetic Reaction Center from Rhodobacter sphaeroides
To be Published
7Q3T
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BU of 7q3t by Molmil
Crystal structure of the OmpK36 D insertion chimera from Klebsiella pneumonia
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LITHIUM ION, OmpK36
Authors:Kwong, H, Beis, K.
Deposit date:2021-10-28
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.788 Å)
Cite:Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
5EW4
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BU of 5ew4 by Molmil
Crystal structure of C9ORF72 Antisense CCCCGG repeat RNA associated with Lou Gehrig's disease and frontotemporal dementia, crystallized with Sr2+
Descriptor: CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Tomchick, D.R, Dodd, D.W, Gagnon, K.T, Corey, D.R.
Deposit date:2015-11-20
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Pathogenic C9ORF72 Antisense Repeat RNA Forms a Double Helix with Tandem C:C Mismatches.
Biochemistry, 55, 2016
3ECQ
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BU of 3ecq by Molmil
Endo-alpha-N-acetylgalactosaminidase from Streptococcus pneumoniae: SeMet structure
Descriptor: CALCIUM ION, Endo-alpha-N-acetylgalactosaminidase, GLYCEROL, ...
Authors:Caines, M.E.C, Zhu, H, Vuckovic, M, Strynadka, N.C.J.
Deposit date:2008-09-01
Release date:2008-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structural basis for T-antigen hydrolysis by Streptococcus pneumoniae: a target for structure-based vaccine design.
J.Biol.Chem., 283, 2008
8TFM
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BU of 8tfm by Molmil
PorX with Zn (primitive orthorhombic crystal form)
Descriptor: GLYCEROL, Response regulator receiver protein, ZINC ION
Authors:Saran, A, Zeytuni, N.
Deposit date:2023-07-11
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:PorX with Zn (primitive orthorhombic crystal form)
To Be Published

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PDB entries from 2024-08-14

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