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5V7Q
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BU of 5v7q by Molmil
Cryo-EM structure of the large ribosomal subunit from Mycobacterium tuberculosis bound with a potent linezolid analog
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Yang, K, Chang, J.-Y, Cui, Z, Zhang, J.
Deposit date:2017-03-20
Release date:2017-09-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis.
Nucleic Acids Res., 45, 2017
5V93
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BU of 5v93 by Molmil
Cryo-EM structure of the 70S ribosome from Mycobacterium tuberculosis bound with Capreomycin
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Yang, K, Chang, J.-Y, Cui, Z, Li, X, Meng, R, Duan, L, Thongchol, J, Jakana, J, Huwe, C, Sacchettini, J, Zhang, J.
Deposit date:2017-03-22
Release date:2017-09-20
Last modified:2020-08-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis.
Nucleic Acids Res., 45, 2017
3N9T
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BU of 3n9t by Molmil
Cryatal structure of Hydroxyquinol 1,2-dioxygenase from Pseudomonas putida DLL-E4
Descriptor: 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, CITRATE ANION, FE (III) ION, ...
Authors:Liu, W, Shen, W, Fang, P, Li, J, Cui, Z.
Deposit date:2010-05-31
Release date:2010-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cryatal structure of Hydroxyquinol 1,2-dioxygenase from Pseudomonas putida DLL-E4
To be Published
5BPE
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BU of 5bpe by Molmil
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
Descriptor: (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro
Authors:Luqing, S, Yin, Z.
Deposit date:2015-05-28
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
6KGC
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BU of 6kgc by Molmil
Crystal structure of CaDoc0917(R49D)-CaCohA2 complex at pH 5.4
Descriptor: And cellulose-binding endoglucanase family 9 CelL ortholog dockerin domain, CALCIUM ION, Probably cellulosomal scaffolding protein, ...
Authors:Feng, Y, Yao, X.
Deposit date:2019-07-11
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules.
Sci Adv, 6, 2020
6KGD
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BU of 6kgd by Molmil
Crystal structure of CaDoc0917(R49D)-CaCohA2 complex at pH 8.0
Descriptor: And cellulose-binding endoglucanase family 9 CelL ortholog dockerin domain, CALCIUM ION, Probably cellulosomal scaffolding protein, ...
Authors:Feng, Y, Yao, X.
Deposit date:2019-07-11
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules.
Sci Adv, 6, 2020
6KGE
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BU of 6kge by Molmil
Crystal structure of CaDoc0917(R16D)-CaCohA2 complex at pH 5.5
Descriptor: And cellulose-binding endoglucanase family 9 CelL ortholog dockerin domain, CALCIUM ION, Probably cellulosomal scaffolding protein, ...
Authors:Feng, Y, Yao, X.
Deposit date:2019-07-11
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules.
Sci Adv, 6, 2020
6KG8
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BU of 6kg8 by Molmil
Solution structure of CaCohA2 from Clostridium acetobutylicum
Descriptor: Probably cellulosomal scaffolding protein, secreted cellulose-binding and cohesin domain
Authors:Feng, Y, Yao, X.
Deposit date:2019-07-11
Release date:2020-07-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules.
Sci Adv, 6, 2020
2MTE
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BU of 2mte by Molmil
Solution structure of Doc48S
Descriptor: CALCIUM ION, Cellulose 1,4-beta-cellobiosidase (reducing end) CelS
Authors:Chen, C, Feng, Y.
Deposit date:2014-08-18
Release date:2014-10-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Revisiting the NMR solution structure of the Cel48S type-I dockerin module from Clostridium thermocellum reveals a cohesin-primed conformation.
J.Struct.Biol., 188, 2014
7AZO
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BU of 7azo by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-977
Descriptor: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,4R,6R)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
Authors:Jenner, L.B, Yusupov, M, Yusupova, G.
Deposit date:2020-11-17
Release date:2022-06-01
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
7AZS
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BU of 7azs by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569
Descriptor: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
Authors:Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A.
Deposit date:2020-11-17
Release date:2022-06-08
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
6KG9
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BU of 6kg9 by Molmil
Solution structure of CaDoc0917 from Clostridium acetobutylicum
Descriptor: And cellulose-binding endoglucanase family 9 CelL ortholog dockerin domain, CALCIUM ION
Authors:Feng, Y, Yao, X.
Deposit date:2019-07-11
Release date:2020-07-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules.
Sci Adv, 6, 2020
6KGF
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BU of 6kgf by Molmil
Crystal structure of CaDoc0917(R16D)-CaCohA2 complex at pH 8.2
Descriptor: And cellulose-binding endoglucanase family 9 CelL ortholog dockerin domain, CALCIUM ION, Probably cellulosomal scaffolding protein, ...
Authors:Feng, Y, Yao, X.
Deposit date:2019-07-11
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules.
Sci Adv, 6, 2020
7RE9
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BU of 7re9 by Molmil
TCR mimic antibody (Fab fragment)
Descriptor: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain
Authors:Dasgupta, M, Baker, B.M.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
7RE8
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BU of 7re8 by Molmil
Class I MHC (HLA-A*02) presenting alpha fetoprotein peptide (AFP)
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, MHC class I antigen, ...
Authors:Dasgupta, M, Baker, B.M.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
7RE7
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BU of 7re7 by Molmil
TCR mimic antibody (Fab fragment) in complex with AFP/HLA-A*02
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, FORMIC ACID, ...
Authors:Dasgupta, M, Baker, B.M.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
6NM5
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BU of 6nm5 by Molmil
F-pilus/MS2 Maturation protein complex
Descriptor: (2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate, Maturation protein, Type IV conjugative transfer system pilin TraA
Authors:Meng, R, Chang, J, Zhang, J.
Deposit date:2019-01-10
Release date:2019-07-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural basis for the adsorption of a single-stranded RNA bacteriophage.
Nat Commun, 10, 2019
5ZBZ
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BU of 5zbz by Molmil
Crystal structure of the DEAD domain of Human eIF4A with sanguinarine
Descriptor: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Eukaryotic initiation factor 4A-I, MALONATE ION
Authors:Ding, Y, Ding, L.
Deposit date:2018-02-14
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.30860257 Å)
Cite:Targeting the N Terminus of eIF4AI for Inhibition of Its Catalytic Recycling.
Cell Chem Biol, 26, 2019
2MK5
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BU of 2mk5 by Molmil
Solution structure of a protein domain
Descriptor: Endolysin
Authors:Feng, Y, Gu, J.
Deposit date:2014-01-24
Release date:2014-05-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
4OLS
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BU of 4ols by Molmil
The amidase-2 domain of LysGH15
Descriptor: Endolysin, FE (III) ION, MAGNESIUM ION, ...
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-06-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
4OLK
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BU of 4olk by Molmil
The CHAP domain of LysGH15
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-05-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
8GTY
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BU of 8gty by Molmil
Crystal structure of exopolyphosphatase (PPX) from Zymomonas mobilis in complex with magnesium ions
Descriptor: MAGNESIUM ION, Ppx/GppA phosphatase
Authors:Lu, Z, Wang, J, Zhang, B.
Deposit date:2022-09-09
Release date:2023-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the exopolyphosphatase (PPX) from Zymomonas mobilis reveals a two-magnesium-ions PPX.
Int.J.Biol.Macromol., 262, 2024
8X73
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BU of 8x73 by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-069
Descriptor: Peroxiredoxin-1, methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate
Authors:Zhang, H, Luo, C.
Deposit date:2023-11-22
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
8X71
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BU of 8x71 by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-064
Descriptor: Peroxiredoxin-1, methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2023-11-22
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
8GXN
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BU of 8gxn by Molmil
The crystal structure of CsFAOMT2 in complex with SAH
Descriptor: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, caffeyl-CoA-O-methyltransferase
Authors:Zhang, Z.M, Zhou, Y.E, Huang, H.S.
Deposit date:2022-09-20
Release date:2023-09-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Characterization of two O-methyltransferases involved in the biosynthesis of O-methylated catechins in tea plant.
Nat Commun, 14, 2023

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PDB entries from 2024-11-06

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