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1QL9
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BU of 1ql9 by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT
Descriptor: CALCIUM ION, SULFATE ION, TRYPSIN, ...
Authors:Stubbs, M.T.
Deposit date:1999-08-24
Release date:2000-08-25
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-Induced Structural Plasticity
J.Mol.Biol., 325, 2003
7EQC
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BU of 7eqc by Molmil
Crystal structure of the mini-centralspindlin complex
Descriptor: CYtoKinesis defect, Kinesin-like protein
Authors:Chen, Z, Pan, H.
Deposit date:2021-05-01
Release date:2022-04-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic insights into central spindle assembly mediated by the centralspindlin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
5C8X
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BU of 5c8x by Molmil
ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 20min
Descriptor: (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one, GLYCEROL, POTASSIUM ION, ...
Authors:Hu, X.-J, Qi, Q, Yang, W.-J.
Deposit date:2015-06-26
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Case Study of Lactonase ZHD
To Be Published
5C81
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BU of 5c81 by Molmil
ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 12min
Descriptor: (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one, FORMIC ACID, GLYCEROL, ...
Authors:Hu, X.-J, Qi, Q, Yang, W.-J.
Deposit date:2015-06-25
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Case Study of Lactonase ZHD
To Be Published
5C7Y
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BU of 5c7y by Molmil
ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 9min
Descriptor: (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one, FORMIC ACID, GLYCEROL, ...
Authors:Hu, X.-J, Qi, Q, Yang, W.-J.
Deposit date:2015-06-25
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Case Study of Lactonase ZHD
To Be Published
5XO8
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BU of 5xo8 by Molmil
Crystal structure of a novel ZEN lactonase mutant with ligand Z
Descriptor: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Lactonase for protein
Authors:Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-05-27
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
5XO7
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BU of 5xo7 by Molmil
Crystal structure of a novel ZEN lactonase mutant with ligand a
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, lactonase for protein
Authors:Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-05-27
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
5XO6
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BU of 5xo6 by Molmil
Crystal structure of a novel ZEN lactonase mutant
Descriptor: PENTAETHYLENE GLYCOL, lactonase for protein
Authors:Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-05-27
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
3HH6
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BU of 3hh6 by Molmil
New azaborine compounds bind to the T4 lysozyme L99A cavity -ethylbenzene as control
Descriptor: 2-HYDROXYETHYL DISULFIDE, Lysozyme, PHENYLETHANE, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2009-05-14
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme.
Angew.Chem.Int.Ed.Engl., 48, 2009
5VXT
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BU of 5vxt by Molmil
Crystal structure of catechol 1,2-dioxygenase from Burkholderia ambifaria
Descriptor: 1,2-ETHANEDIOL, CATECHOL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-05-24
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of catechol 1,2-dioxygenase from Burkholderia ambifaria
TO BE PUBLISHED
7LVK
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BU of 7lvk by Molmil
Cfr-modified 50S subunit from Escherichia coli
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Stojkovic, V, Myasnikov, A.G, Frost, A, Fujimori, D.G.
Deposit date:2021-02-25
Release date:2021-12-15
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Investigating antibiotic resistance of a ribosomal-RNA methylating enzyme through directed evolution
To Be Published
7Q9O
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BU of 7q9o by Molmil
Complex of Transthyretin with resveratrol exhibits multiple binding modes
Descriptor: GLYCEROL, RESVERATROL, SODIUM ION, ...
Authors:Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7XJB
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BU of 7xjb by Molmil
Rat-COMT, opicapone,SAM and Mg bond
Descriptor: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Takebe, K, Iijima, H, Suzuki, M, Kuwada-Kusunose, T.
Deposit date:2022-04-15
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O -Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses.
J.Chem.Inf.Model., 63, 2023
7XUY
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BU of 7xuy by Molmil
Crystal structure of 5-chloro-2-hydroxymuconate tautomerase CnbG
Descriptor: Tautomerase
Authors:Ma, H.L, Li, D.F.
Deposit date:2022-05-20
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural insights into the substrate specificity of 5-chloro-2-hydroxymuconate tautomerase CnbG.
Biochem.Biophys.Res.Commun., 620, 2022
7YAC
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BU of 7yac by Molmil
Paltusotine-bound SSTR2-Gi complex
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhao, J, Shao, Z.
Deposit date:2022-06-27
Release date:2023-04-19
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
7S1G
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BU of 7s1g by Molmil
wild-type Escherichia coli stalled ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
7S1H
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BU of 7s1h by Molmil
Wild-type Escherichia coli ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
7RIV
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BU of 7riv by Molmil
human PXR LBD bound to GSK001
Descriptor: Dabrafenib, Isoform 1C of Nuclear receptor subfamily 1 group I member 2
Authors:Williams, S.P, Wisely, G.B, Ward, P.
Deposit date:2021-07-20
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
4Z10
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BU of 4z10 by Molmil
Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol
Descriptor: ACETATE ION, Aurone synthase, COPPER (II) ION, ...
Authors:Molitor, C, Mauracher, S.G, Rompel, A.
Deposit date:2015-03-26
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol
To Be Published
8PI5
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BU of 8pi5 by Molmil
Crystal structure of human insulin desB30 precursor with an Alanine-Methionine-Lysine C-peptide in hexamer (T3R3) conformation
Descriptor: CHLORIDE ION, Insulin B chain,Insulin A chain, RESORCINOL, ...
Authors:Johansson, E, Schluckebier, G.
Deposit date:2023-06-21
Release date:2023-11-08
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Molecular engineering of insulin for recombinant expression in yeast.
Trends Biotechnol, 42, 2024
4QOO
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BU of 4qoo by Molmil
Structure of Bacillus pumilus catalase with resorcinol bound.
Descriptor: CHLORIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Loewen, P.C.
Deposit date:2014-06-20
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
8PF2
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BU of 8pf2 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16
Descriptor: Chemotaxis protein CheA, RESORCINOL
Authors:Adhav, A, Marina, A.
Deposit date:2023-06-15
Release date:2024-06-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Repurposing Hsp90 inhibitors as antimicrobials targeting two-component systems identifies compounds leading to loss of bacterial membrane integrity.
Microbiol Spectr, 2024
3ZU1
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BU of 3zu1 by Molmil
Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin
Descriptor: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
Authors:Schluckebier, G, Whittingham, J.
Deposit date:2011-07-13
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin
To be Published
4AJX
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BU of 4ajx by Molmil
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
Descriptor: IMIDAZOLE, INSULIN, N-(16-Carboxyhexadecanoyl)-L-glutamic acid, ...
Authors:Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I.
Deposit date:2012-02-20
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
7XT0
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BU of 7xt0 by Molmil
Crystal structure of RNA helicase from Saint Louis encephalitis virus and discovery of its inhibitors
Descriptor: 1,2-ETHANEDIOL, RNA helicase
Authors:Wang, D.P, Jiang, F.Y, Zeng, X.Y, Zhao, R, Chen, C, Zhu, Y, Cao, J.M.
Deposit date:2022-05-15
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of RNA helicase from Saint Louis encephalitis virus and discovery of its inhibitors
To Be Published

222415

数据于2024-07-10公开中

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