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9G6K
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BU of 9g6k by Molmil
LSU structure derived from the LSU sample of the mitoribosome from T. gondii.
Descriptor: AMP-dependent synthetase/ligase domain-containing protein, AP2 domain transcription factor AP2IV-1, AP2 domain transcription factor AP2VIIb-2, ...
Authors:Rocha, R.E.O, Barua, S, Boissier, F, Nguyen, T.T, Hashem, Y.
Deposit date:2024-07-18
Release date:2024-12-11
Last modified:2025-01-01
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Apicomplexan mitoribosome from highly fragmented rRNAs to a functional machine.
Nat Commun, 15, 2024
6THD
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BU of 6thd by Molmil
Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E
Descriptor: Genome polyprotein, MYRISTIC ACID, SULFATE ION
Authors:Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G.
Deposit date:2019-11-19
Release date:2020-12-09
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.23 Å)
Cite:Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts.
Plos Pathog., 16, 2020
6THN
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BU of 6thn by Molmil
Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E symmetry expansion+2fold focused classification
Descriptor: Genome polyprotein, MYRISTIC ACID, RNA Peak 9 Bernoulli Plot, ...
Authors:Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G.
Deposit date:2019-11-20
Release date:2020-12-09
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts.
Plos Pathog., 16, 2020
6NY6
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BU of 6ny6 by Molmil
Structure of dimeric Escherichia coli toxin YoeB bound to the Thermus thermophilus 30S ribosome
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Pavelich, I.J, Hoffer, E.D, Maehigashi, T, Dunham, C.M.
Deposit date:2019-02-11
Release date:2019-08-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.74 Å)
Cite:Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019
1LLR
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BU of 1llr by Molmil
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012
Descriptor: 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE, 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside, CHOLERA TOXIN B SUBUNIT
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2002-04-30
Release date:2002-08-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin.
J.Am.Chem.Soc., 124, 2002
2UZB
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BU of 2uzb by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-27
Release date:2007-06-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
7RB7
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BU of 7rb7 by Molmil
Room temperature structure of hAChE in complex with substrate analog 4K-TMA and MMB4 oxime
Descriptor: 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2021-07-05
Release date:2021-09-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure
Curr Res Struct Biol, 3, 2021
2UZL
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BU of 2uzl by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-30
Release date:2007-06-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
2UZD
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BU of 2uzd by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-27
Release date:2007-06-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
6M5Q
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BU of 6m5q by Molmil
A class C beta-lactamase mutant - Y150F
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase
Authors:Bae, D.W, Jung, Y.E, Cha, S.S.
Deposit date:2020-03-11
Release date:2021-01-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Novel inhibition mechanism of carbapenems on the ACC-1 class C beta-lactamase.
Arch.Biochem.Biophys., 693, 2020
9ECT
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BU of 9ect by Molmil
Crystal Structure of the Gemella haemolysans Immunoglobulin A1 Protease Trypsin-Like Domain
Descriptor: LPXTG-motif cell wall anchor domain protein
Authors:Tran, N, Holyoak, T.
Deposit date:2024-11-15
Release date:2025-03-12
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of the Gemella haemolysans M26 IgA1 protease trypsin-like domain.
Acta Crystallogr.,Sect.F, 81, 2025
6FDQ
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BU of 6fdq by Molmil
Structure of Chlamydia trachomatis effector protein Cdu1 bound to Compound 5
Descriptor: Deubiquitinase and deneddylase Dub1, N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide
Authors:Ramirez, Y, Kisker, C, Altmann, E.
Deposit date:2017-12-26
Release date:2018-08-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Substrate Recognition and Covalent Inhibition of Cdu1 from Chlamydia trachomatis.
ChemMedChem, 13, 2018
6CJW
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BU of 6cjw by Molmil
Crystal Structure of Mnk2-D228G in Complex With Inhibitor
Descriptor: 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
Authors:Han, Q.
Deposit date:2018-02-27
Release date:2018-05-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
6V0X
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BU of 6v0x by Molmil
Crystal structure of the bromodomain of human BRD9 bound to sunitinib
Descriptor: Bromodomain-containing protein 9, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
Authors:Karim, M.R, Chan, A, Zhu, J.Y, Schonbrunn, E.
Deposit date:2019-11-19
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
7KJX
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BU of 7kjx by Molmil
Structure of HIV-1 reverse transcriptase initiation complex core with nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ...
Authors:Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V.
Deposit date:2020-10-26
Release date:2021-03-17
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs.
Nat Commun, 12, 2021
3OEO
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BU of 3oeo by Molmil
The crystal structure E. coli Spy
Descriptor: CADMIUM ION, Spheroplast protein Y
Authors:Kwon, E, Kim, D.Y, Gross, C.A, Gross, J.D, Kim, K.K.
Deposit date:2010-08-13
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure Escherichia coli Spy.
Protein Sci., 19, 2010
1NI7
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BU of 1ni7 by Molmil
NORTHEAST STRUCTURAL GENOMIC CONSORTIUM TARGET ER75
Descriptor: Hypothetical protein ygdK
Authors:Liu, G, Chiang, Y, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-12-21
Release date:2003-06-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-quality homology models derived from NMR and X-ray structures of E. coli proteins YgdK and Suf E suggest that all members of the YgdK/Suf E protein family are enhancers of cysteine desulfurases.
Protein Sci., 14, 2005
8UXQ
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BU of 8uxq by Molmil
Structure of Heterochromatin Protein 1 (HP1) alpha in complex with an H2A.Z nucleosome
Descriptor: Chromobox protein homolog 5, DNA Widom601 (208bp) strand1, DNA Widom601 (208bp) strand2, ...
Authors:Tan, D, Sokolova, V.
Deposit date:2023-11-09
Release date:2024-09-25
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Structural mechanism of HP1⍺-dependent transcriptional repression and chromatin compaction.
Structure, 32, 2024
5VP2
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BU of 5vp2 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with madumycin II and bound to mRNA and A-, P- and E-site tRNAs at 2.8A resolution
Descriptor: 16S ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Osterman, I.A, Khabibullina, N.F, Komarova, E.S, Kasatsky, P, Kartsev, V.G, Bogdanov, A.A, Dontsova, O.A, Konevega, A.L, Sergiev, P.V, Polikanov, Y.S.
Deposit date:2017-05-04
Release date:2017-06-28
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Madumycin II inhibits peptide bond formation by forcing the peptidyl transferase center into an inactive state.
Nucleic Acids Res., 45, 2017
5W4K
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BU of 5w4k by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with Klebsazolicin and bound to mRNA and A-, P- and E-site tRNAs at 2.7A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Metelev, M, Osterman, I.A, Ghilarov, D, Khabibullina, N.F, Yakimov, A, Shabalin, K, Utkina, I, Travin, D.Y, Komarova, E.S, Serebryakova, M, Artamonova, T, Khodorkovskii, M, Konevega, A.L, Sergiev, P.V, Severinov, K, Polikanov, Y.S.
Deposit date:2017-06-12
Release date:2017-08-30
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Klebsazolicin inhibits 70S ribosome by obstructing the peptide exit tunnel.
Nat. Chem. Biol., 13, 2017
6H4N
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BU of 6h4n by Molmil
Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1 - 70S Hibernating E. coli Ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ...
Authors:Beckert, B, Turk, M, Czech, A, Berninghausen, O, Beckmann, R, Ignatova, Z, Plitzko, J, Wilson, N.D.
Deposit date:2018-07-22
Release date:2018-09-05
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1.
Nat Microbiol, 3, 2018
5NAL
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BU of 5nal by Molmil
The crystal structure of inhibitor-15 covalently bound to PDE6D
Descriptor: Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}4-[(4-chlorophenyl)methyl]-~{N}1-(cyclohexylmethyl)-~{N}4-cyclopentyl-~{N}1-[(~{Z})-4-[(~{E})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide
Authors:Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A.
Deposit date:2017-02-28
Release date:2017-05-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Covalent Protein Labeling at Glutamic Acids.
Cell Chem Biol, 24, 2017
8A0L
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BU of 8a0l by Molmil
Tubulin-CW1-complex
Descriptor: (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Diaz, J.F, Steinmetz, M.O, Oliva, M.A.
Deposit date:2022-05-28
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9981 Å)
Cite:Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
6HEF
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BU of 6hef by Molmil
Room temperature structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Hjorth-Jensen, S, Sorensen, T.L.M, Oksanen, E, Andersen, J.L, Olesen, C, Moller, J.V, Nissen, P.
Deposit date:2018-08-20
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.538 Å)
Cite:Membrane-protein crystals for neutron diffraction.
Acta Crystallogr D Struct Biol, 74, 2018
2UZE
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BU of 2uze by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-27
Release date:2007-06-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007

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