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6ADQ
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BU of 6adq by Molmil
Respiratory Complex CIII2CIV2SOD2 from Mycobacterium smegmatis
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
Authors:Gong, H.R, Xu, A, Gao, R.G, Ji, W.X, Wang, S.H, Wang, Q, Li, J, Rao, Z.H.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.
Science, 362, 2018
7DAF
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BU of 7daf by Molmil
IXA in complex with tubulin
Descriptor: (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wu, C, Wang, Y.
Deposit date:2020-10-16
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
1HOO
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BU of 1hoo by Molmil
STRUCTURE OF GUANINE NUCLEOTIDE (GPPCP) COMPLEX OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI AT PH 6.5 AND 25 DEGREES CELSIUS
Descriptor: ADENYLOSUCCINATE SYNTHETASE, AMINOPHOSPHONIC ACID-GUANYLATE ESTER, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Poland, B.W, Hou, Z, Bruns, C, Fromm, H.J, Honzatko, R.B.
Deposit date:1996-04-26
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined crystal structures of guanine nucleotide complexes of adenylosuccinate synthetase from Escherichia coli.
J.Biol.Chem., 271, 1996
5Z30
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BU of 5z30 by Molmil
The crystal structure of the nucleosome containing a cancer-associated histone H2A.Z R80C mutant
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A.Z, ...
Authors:Horikoshi, N, Arimura, Y, Kurumizaka, H.
Deposit date:2018-01-05
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Cancer-associated mutations of histones H2B, H3.1 and H2A.Z.1 affect the structure and stability of the nucleosome.
Nucleic Acids Res., 46, 2018
2FEQ
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BU of 2feq by Molmil
orally active thrombin inhibitors
Descriptor: Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ...
Authors:Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W.
Deposit date:2005-12-16
Release date:2006-08-08
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety
Bioorg.Med.Chem.Lett., 16, 2006
9GGL
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BU of 9ggl by Molmil
Cryo-EM structure of KBTBD4 WT-HDAC2 2:1 complex mediated by molecular glue UM171
Descriptor: (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine, Histone deacetylase 2, Isoform 1 of Kelch repeat and BTB domain-containing protein 4, ...
Authors:Chen, Z, Chi, G, Pike, A.C.W, Montes, B, Bullock, A.N.
Deposit date:2024-08-13
Release date:2025-04-09
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural mimicry of UM171 and neomorphic cancer mutants co-opts E3 ligase KBTBD4 for HDAC1/2 recruitment.
Nat Commun, 16, 2025
9GGN
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BU of 9ggn by Molmil
Cryo-EM structure of KBTBD4 WT-HDAC2 2:2 complex mediated by molecular glue UM171
Descriptor: (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine, Histone deacetylase 2, Isoform 1 of Kelch repeat and BTB domain-containing protein 4, ...
Authors:Chen, Z, Chi, G, Pike, A.C.W, Montes, B, Bullock, A.N.
Deposit date:2024-08-13
Release date:2025-04-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mimicry of UM171 and neomorphic cancer mutants co-opts E3 ligase KBTBD4 for HDAC1/2 recruitment.
Nat Commun, 16, 2025
9GGM
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BU of 9ggm by Molmil
Cryo-EM structure of KBTBD4 P313PRR mutant-HDAC2 2:2 complex
Descriptor: Histone deacetylase 2, Isoform 1 of Kelch repeat and BTB domain-containing protein 4, ZINC ION
Authors:Chen, Z, Chi, G, Pike, A.C.W, Montes, B, Bullock, A.N.
Deposit date:2024-08-13
Release date:2025-04-09
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structural mimicry of UM171 and neomorphic cancer mutants co-opts E3 ligase KBTBD4 for HDAC1/2 recruitment.
Nat Commun, 16, 2025
4RAB
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BU of 4rab by Molmil
Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Keough, D.T, Hockov, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W.
Deposit date:2014-09-10
Release date:2015-01-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.264 Å)
Cite:Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
2NYB
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BU of 2nyb by Molmil
Crystal structure of E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom resolution
Descriptor: FE (II) ION, OXYGEN ATOM, Superoxide dismutase [FE]
Authors:Porta, J.C, Vahedi-Faridi, A, Borgstahl, G.E.O.
Deposit date:2006-11-20
Release date:2006-12-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:How Can a Single Second Sphere Amino Acid Substitution Cause Reduction Midpoint Potential Changes of Hundreds of Millivolts?
J.Am.Chem.Soc., 129, 2007
7K00
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BU of 7k00 by Molmil
Structure of the Bacterial Ribosome at 2 Angstrom Resolution
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Watson, Z.L, Ward, F.R, Meheust, R, Ad, O, Schepartz, A, Banfield, J.F, Cate, J.H.D.
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (1.98 Å)
Cite:Structure of the bacterial ribosome at 2 angstrom resolution.
Elife, 9, 2020
9B2A
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BU of 9b2a by Molmil
Cryo-EM structure of the mouse TRPM3 alpha 2 channel in complex with the neurosteroid pregnenolone sulfate and the synthetic agonist CIM 0216
Descriptor: (2S)-2-(3,4-dihydroquinolin-1(2H)-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide, Pregnenolone sulfate, Transient receptor potential cation channel, ...
Authors:Yin, Y, Park, C.G, Feng, S, Zhang, F, Guan, Z, Sharma, K, Borgnia, M.J, Im, W, Lee, S.-Y.
Deposit date:2024-03-14
Release date:2025-01-22
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Molecular basis of neurosteroid and anticonvulsant regulation of TRPM3.
Nat.Struct.Mol.Biol., 32, 2025
9B29
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BU of 9b29 by Molmil
Cryo-EM structure of the mouse TRPM3 alpha 2 channel in complex with cholesteryl hemisuccinate
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL HEMISUCCINATE, ...
Authors:Yin, Y, Park, C.G, Feng, S, Zhang, F, Guan, Z, Sharma, K, Borgnia, M.J, Im, W, Lee, S.-Y.
Deposit date:2024-03-14
Release date:2025-01-22
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Molecular basis of neurosteroid and anticonvulsant regulation of TRPM3.
Nat.Struct.Mol.Biol., 32, 2025
9B28
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BU of 9b28 by Molmil
Cryo-EM structure of the mouse TRPM3 alpha 2 channel in complex with primidone
Descriptor: CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel, subfamily M, ...
Authors:Yin, Y, Park, C.G, Feng, S, Zhang, F, Guan, Z, Sharma, K, Borgnia, M.J, Im, W, Lee, S.-Y.
Deposit date:2024-03-14
Release date:2025-01-22
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Molecular basis of neurosteroid and anticonvulsant regulation of TRPM3.
Nat.Struct.Mol.Biol., 32, 2025
7E1V
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BU of 7e1v by Molmil
Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ...
Authors:Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z.
Deposit date:2021-02-03
Release date:2021-10-13
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
7E1X
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BU of 7e1x by Molmil
Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ...
Authors:Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z.
Deposit date:2021-02-03
Release date:2021-10-27
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
7E1W
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BU of 7e1w by Molmil
Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ...
Authors:Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z.
Deposit date:2021-02-03
Release date:2021-10-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
3OSQ
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BU of 3osq by Molmil
Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 175
Descriptor: Maltose-binding periplasmic protein,Green fluorescent protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Echevarria, I.M, Marvin, J.S, Looger, L.L, Schreiter, E.R.
Deposit date:2010-09-09
Release date:2011-10-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A genetically encoded, high-signal-to-noise maltose sensor.
Proteins, 79, 2011
3PAA
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BU of 3paa by Molmil
Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 8.0
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D.
Deposit date:2010-10-19
Release date:2010-12-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid .
Biochemistry, 49, 2010
4TUA
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BU of 4tua by Molmil
Crystal structure of ASL-Thr bound to Codon ACC-A on the Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fagan, C.E, Dunham, C.M.
Deposit date:2014-06-24
Release date:2015-05-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural insights into translational recoding by frameshift suppressor tRNASufJ.
Rna, 20, 2014
7EO4
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BU of 7eo4 by Molmil
Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to BAF312
Descriptor: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:He, Y, Xu, Z, Ikuta, T, Inoue, A.
Deposit date:2021-04-21
Release date:2022-01-05
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022
9I2C
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BU of 9i2c by Molmil
Cryo-EM structure of KBTBD4 WT-HDAC2-CoREST1 2:1:1 complex mediated by molecular glue UM171
Descriptor: (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine, Histone deacetylase 2, Isoform 1 of Kelch repeat and BTB domain-containing protein 4, ...
Authors:Chen, Z, Chi, G, Pike, A.C.W, Montes, B, Bullock, A.N.
Deposit date:2025-01-20
Release date:2025-04-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural mimicry of UM171 and neomorphic cancer mutants co-opts E3 ligase KBTBD4 for HDAC1/2 recruitment.
Nat Commun, 16, 2025
3QIP
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BU of 3qip by Molmil
Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid, CHLORIDE ION, ...
Authors:Lansdon, E.B, Kirschberg, T.A.
Deposit date:2011-01-27
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0926 Å)
Cite:Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
4TUE
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BU of 4tue by Molmil
Crystal structure of ASL-SufJ bound to Codon ACC-U on the Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fagan, C.E, Dunham, C.M.
Deposit date:2014-06-24
Release date:2015-05-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural insights into translational recoding by frameshift suppressor tRNASufJ.
Rna, 20, 2014
1GNK
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BU of 1gnk by Molmil
GLNK, A SIGNAL PROTEIN FROM E. COLI
Descriptor: PROTEIN (GLNK), SULFATE ION
Authors:Xu, Y, Cheah, E, Carr, P.D, Vanheeswijk, W.C, Westerhoff, H.V, Vasudevan, S.G, Ollis, D.L.
Deposit date:1998-07-14
Release date:1999-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:GlnK, a PII-homologue: structure reveals ATP binding site and indicates how the T-loops may be involved in molecular recognition.
J.Mol.Biol., 282, 1998

238582

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