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7YM9
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BU of 7ym9 by Molmil
Crystal structure of a PET hydrolase from Cryptosporangium aurantiacum
Descriptor: MALONATE ION, Poly(ethylene terephthalate) hydrolase
Authors:Hong, H, Ki, D, Kim, K.-J.
Deposit date:2022-07-28
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Discovery and rational engineering of PET hydrolase with both mesophilic and thermophilic PET hydrolase properties.
Nat Commun, 14, 2023
7YME
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BU of 7yme by Molmil
Crystal structure of a PET hydrolase M9 variant from Cryptosporangium aurantiacum
Descriptor: Poly(Ethylene terephthalate) hydrolase
Authors:Ki, D, Hong, H, Kim, K.-J.
Deposit date:2022-07-28
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery and rational engineering of PET hydrolase with both mesophilic and thermophilic PET hydrolase properties.
Nat Commun, 14, 2023
5F4U
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BU of 5f4u by Molmil
HIV-1 gp120 complex with BNM-IV-197
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
Authors:Liang, S, Hendrickson, W.A.
Deposit date:2015-12-03
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
ACS Med Chem Lett, 7, 2016
5F4R
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BU of 5f4r by Molmil
HIV-1 gp120 complex with BNW-IV-147
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, FORMIC ACID, ...
Authors:Liang, S, Hendrickson, W.A.
Deposit date:2015-12-03
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
ACS Med Chem Lett, 7, 2016
5F4P
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BU of 5f4p by Molmil
HIV-1 gp120 complex with BNM-III-170
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
Authors:Liang, S, Hendrickson, W.A.
Deposit date:2015-12-03
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
Acs Med.Chem.Lett., 7, 2016
5F4L
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BU of 5f4l by Molmil
HIV-1 gp120 complex with JP-III-048
Descriptor: ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
Authors:Liang, S, Hendrickson, W.A.
Deposit date:2015-12-03
Release date:2016-03-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
Acs Med.Chem.Lett., 7, 2016
4I54
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BU of 4i54 by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 H375S core in complex with DMJ-II-121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 glycoprotein, ...
Authors:Le-Khac, M, Hendrickson, W.A.
Deposit date:2012-11-28
Release date:2013-05-29
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.
ACS Med Chem Lett, 4, 2013
4I53
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BU of 4i53 by Molmil
Crystal structure of clade C1086 HIV-1 gp120 core in complex with DMJ-II-121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, HIV-1 glycoprotein, ...
Authors:Le-Khac, M, Hendrickson, W.A.
Deposit date:2012-11-28
Release date:2013-05-29
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (2.5002 Å)
Cite:Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.
ACS Med Chem Lett, 4, 2013
4JN1
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BU of 4jn1 by Molmil
An Antidote for Dabigatran
Descriptor: GLYCEROL, anti-dabigatran Fab1, heavy chain, ...
Authors:Schiele, F, Nar, H.
Deposit date:2013-03-14
Release date:2013-03-27
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A specific antidote for dabigatran: functional and structural characterization.
Blood, 121, 2013
4JN2
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BU of 4jn2 by Molmil
An Antidote for Dabigatran
Descriptor: GLYCEROL, N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, anti dabigatran Fab
Authors:Schiele, F, Nar, H.
Deposit date:2013-03-14
Release date:2013-03-27
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:A specific antidote for dabigatran: functional and structural characterization.
Blood, 121, 2013
4XJE
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BU of 4xje by Molmil
CRYSTAL STRUCTURE OF ANT(2") IN COMPLEX WITH AMP AND TOBRAMYCIN
Descriptor: ADENOSINE MONOPHOSPHATE, AadB, GLYCEROL, ...
Authors:Rodionov, D, Bassenden, A.V, Berghuis, A.M.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Revisiting the Catalytic Cycle and Kinetic Mechanism of AminoglycosideO-Nucleotidyltransferase(2′′): A Structural and Kinetic Study.
Acs Chem.Biol., 2020
4ATW
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BU of 4atw by Molmil
The crystal structure of Arabinofuranosidase
Descriptor: ALPHA-L-ARABINOFURANOSIDASE DOMAIN PROTEIN
Authors:Dumbrepatil, A, Song, H.-N, Jung, T.-Y, Kim, T.-J, Woo, E.-J.
Deposit date:2012-05-10
Release date:2012-05-23
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Analysis of Alpha-L-Arabinofuranosidase from Thermotoga Maritima Reveals Characteristics for Thermostability and Substrate Specificity.
J.Microbiol.Biotech., 22, 2012
6JB6
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BU of 6jb6 by Molmil
Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.7 A resolution
Descriptor: Ubiquitin, Ubiquitin-conjugating enzyme E2 K
Authors:Lee, J.-G, Youn, H.-S, Lee, Y, An, J.Y, Park, K.R, Kang, J.Y, Mun, S.A, Park, J, Park, T, Jin, M.W, Yang, J, Eom, S.H.
Deposit date:2019-01-25
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.7 A resolution
To Be Published
7CBC
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BU of 7cbc by Molmil
Crystal structure of a de novo designed switch protein caging a hemagglutinin binder
Descriptor: De novo designed switch protein caging a hemagglutinin binder (sCageHA267_1S), ETHANOL
Authors:Lee, H, Oh, B.-H, Baker, D.
Deposit date:2020-06-11
Release date:2020-12-23
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:De novo design of modular and tunable protein biosensors.
Nature, 591, 2021
6JB7
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BU of 6jb7 by Molmil
Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.1 A resolution
Descriptor: Ubiquitin, Ubiquitin-conjugating enzyme E2 K
Authors:Lee, J.-G, Youn, H.-S, Lee, Y, An, J.Y, Park, K.R, Kang, J.Y, Mun, S.A, Park, J, Park, T, Jin, M.W, Yang, J, Eom, S.H.
Deposit date:2019-01-25
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.1 A resolution
To Be Published
4EJ0
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BU of 4ej0 by Molmil
Crystal structure of ADP-L-glycero-D-manno-heptose-6-epimerase from Burkholderia thailandensis
Descriptor: ADP-L-glycero-D-manno-heptose-6-epimerase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kim, M.S, Shin, D.H.
Deposit date:2012-04-06
Release date:2013-04-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:Structure and in silico substrate-binding mode of ADP-L-glycero-D-manno-heptose 6-epimerase from Burkholderia thailandensis.
Acta Crystallogr.,Sect.D, 69, 2013
5ZQH
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BU of 5zqh by Molmil
Crystal structure of Streptococcus transcriptional regulator
Descriptor: PadR family transcriptional regulator
Authors:Kim, M, Hong, M.
Deposit date:2018-04-19
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based functional analysis of a PadR transcription factor from Streptococcus pneumoniae and characteristic features in the PadR subfamily-2.
Biochem.Biophys.Res.Commun., 532, 2020
6LXX
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BU of 6lxx by Molmil
Frog EPDR1 with an Ir atom
Descriptor: CALCIUM ION, CHLORIDE ION, Ependymin-related 1, ...
Authors:Park, S, Park, J.
Deposit date:2020-02-12
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Single Soaked Iridium (IV) Ion Observed in the Frog Ependymin-Related Protein.
Bull.Korean Chem.Soc., 41, 2020
6LVT
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BU of 6lvt by Molmil
Solution structure of holo acyl carrier protein from Thermotoga maritima
Descriptor: Acyl carrier protein
Authors:Lee, Y, Kim, Y.
Deposit date:2020-02-05
Release date:2020-12-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Characterization of an ACP from Thermotoga maritima : Insights into Hyperthermal Adaptation.
Int J Mol Sci, 21, 2020
6LVU
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BU of 6lvu by Molmil
Crystal structure of apo acyl carrier protein from Thermotoga maritima
Descriptor: Acyl carrier protein, ZINC ION
Authors:Lee, Y, Lee, W.C, Kim, Y.
Deposit date:2020-02-05
Release date:2020-04-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Structural Characterization of an ACP fromThermotoga maritima: Insights into Hyperthermal Adaptation.
Int J Mol Sci, 21, 2020
5HZT
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BU of 5hzt by Molmil
Crystal structure of Dronpa-Cu2+
Descriptor: COPPER (II) ION, Fluorescent protein Dronpa
Authors:Hwang, K.Y, Nam, K.H.
Deposit date:2016-02-03
Release date:2017-03-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structures of Dronpa complexed with quenchable metal ions provide insight into metal biosensor development
FEBS Lett., 590, 2016
5HZU
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BU of 5hzu by Molmil
Crystal structure of Dronpa-Ni2+
Descriptor: Fluorescent protein Dronpa, NICKEL (II) ION
Authors:Hwang, K.Y, Nam, K.H.
Deposit date:2016-02-03
Release date:2017-03-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structures of Dronpa complexed with quenchable metal ions provide insight into metal biosensor development
FEBS Lett., 590, 2016
5HZS
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BU of 5hzs by Molmil
Crystal structure of Dronpa-Co2+
Descriptor: COBALT (II) ION, Fluorescent protein Dronpa
Authors:Hwang, K.Y, Nam, K.H.
Deposit date:2016-02-03
Release date:2017-03-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal structures of Dronpa complexed with quenchable metal ions provide insight into metal biosensor development
FEBS Lett., 590, 2016
6L97
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BU of 6l97 by Molmil
Complex of DNA polymerase IV and L-DNA duplex
Descriptor: DNA (5'-D(*(0DG)P*(0DG)P*(0DG)P*(0DG)P*(0DG)P*(0DA)P*(0DA)P*(0DG)P*(0DG)P*(0DA)P*(0DT)P*(0DT)P*(0DC)P*(0DC))-3'), DNA (5'-D(P*(0DG)P*(0DG)P*(0DA)P*(0DA)P*(0DT)P*(0DC)P*(0DC)P*(0DT)P*(0DT)P*(0DC)P*(0DC)P*(0DC)P*(0DC)P*(0DC))-3'), DNA polymerase IV
Authors:Chung, H.S, An, J, Hwang, D.
Deposit date:2019-11-08
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.362 Å)
Cite:The crystal structure of a natural DNA polymerase complexed with mirror DNA.
Chem.Commun.(Camb.), 56, 2020
6L84
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BU of 6l84 by Molmil
Complex of DNA polymerase IV and D-DNA duplex
Descriptor: CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(P*CP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ...
Authors:Chung, H.S, An, J, Hwang, D.
Deposit date:2019-11-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:The crystal structure of a natural DNA polymerase complexed with mirror DNA.
Chem.Commun.(Camb.), 56, 2020

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