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8HFK
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BU of 8hfk by Molmil
Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and halogenated aryl ketone
Descriptor: 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
Authors:Hou, X.D, Yin, D.J, Rao, Y.J.
Deposit date:2022-11-10
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
8HFJ
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BU of 8hfj by Molmil
Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone
Descriptor: 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
Authors:Hou, X.D, Yin, D.J, Rao, Y.J.
Deposit date:2022-11-10
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
5ICY
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BU of 5icy by Molmil
Cetuximab Fab in complex with linear meditope
Descriptor: Cetuximab Fab heavy chain, Cetuximab Fab light chain, Meditope, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2016-02-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
2REK
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BU of 2rek by Molmil
Crystal structure of tetR-family transcriptional regulator
Descriptor: ACETATE ION, Putative tetR-family transcriptional regulator
Authors:Dong, A, Xu, X, Gu, J, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-09-26
Release date:2007-10-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of tetR-family transcriptional regulator.
To be Published
8HKA
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BU of 8hka by Molmil
TPA bound-form of Periplasmic terephthalate binding protein (TBP) from Ideonella sakaiensis
Descriptor: Periplasmic terephthalate binding protein (TBP), terephthalic acid
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-11-25
Release date:2023-06-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Molecular mechanism underlying high-affinity terephthalate binding and conformational change of TBP from Ideonella sakaiensis.
Int.J.Biol.Macromol., 243, 2023
8HKB
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BU of 8hkb by Molmil
TPA bound-form of Periplasmic terephthalate binding protein (TBP) from Ideonella sakaiensis mutant K184D
Descriptor: Periplasmic terephthalate binding protein (TBP), terephthalic acid
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-11-25
Release date:2023-06-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular mechanism underlying high-affinity terephthalate binding and conformational change of TBP from Ideonella sakaiensis.
Int.J.Biol.Macromol., 243, 2023
8HK9
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BU of 8hk9 by Molmil
Apo-form of Periplasmic terephthalate binding protein (TBP) from Ideonella sakaiensis
Descriptor: GLYCEROL, Periplasmic terephthalate binding protein (TBP)
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-11-25
Release date:2023-06-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular mechanism underlying high-affinity terephthalate binding and conformational change of TBP from Ideonella sakaiensis.
Int.J.Biol.Macromol., 243, 2023
8HN3
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BU of 8hn3 by Molmil
Soluble domain of cytochrome c-556 from Chlorobaculum tepidum
Descriptor: ACETATE ION, Cytochrome c-556, GLYCEROL, ...
Authors:Kishimoto, H, Azai, C, Yamamoto, T, Mutoh, R, Nakaniwa, T, Tanaka, H, Kurisu, G, Oh-oka, H.
Deposit date:2022-12-07
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Soluble domains of cytochrome c-556 and Rieske iron-sulfur protein from Chlorobaculum tepidum: Crystal structures and interaction analysis.
Curr Res Struct Biol, 5, 2023
5I5P
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BU of 5i5p by Molmil
Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-purified 4-hydroxybenzoate
Descriptor: BROMIDE ION, DI(HYDROXYETHYL)ETHER, P-HYDROXYBENZOIC ACID, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Hogle, S.L, Dupont, C.L, Almo, S.C.
Deposit date:2016-02-15
Release date:2017-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-purified 4-hydroxybenzoate
To Be Published
8H8Y
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BU of 8h8y by Molmil
Crystal structure of AbHheG from Acidimicrobiia bacterium
Descriptor: GLYCEROL, alpha/beta hydrolase
Authors:Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
Deposit date:2022-10-24
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
8H4P
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BU of 8h4p by Molmil
class I sesquiterpene synthase
Descriptor: Longiborneol synthase CLM1, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
Authors:Li, A.N, Lou, T.T, Ma, M.
Deposit date:2022-10-11
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
5I1D
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BU of 5i1d by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV4-1
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION
Authors:Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
Deposit date:2016-02-05
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural diversity in a human antibody germline library.
Mabs, 8, 2016
8HHV
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BU of 8hhv by Molmil
endo-alpha-D-arabinanase EndoMA1 from Microbacterium arabinogalactanolyticum
Descriptor: CALCIUM ION, GLYCEROL, SODIUM ION, ...
Authors:Nakashima, C, Li, J, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2022-11-17
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8H86
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BU of 8h86 by Molmil
Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR1 in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR1, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2022-10-21
Release date:2023-09-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
8H87
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BU of 8h87 by Molmil
Cryo-EM structure of the potassium-selective channelrhodopsin HcKCR2 in lipid nanodisc
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, HcKCR2, PALMITIC ACID, ...
Authors:Tajima, S, Kim, Y, Yamashita, K, Fukuda, M, Deisseroth, K, Kato, H.E.
Deposit date:2022-10-21
Release date:2023-09-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Structural basis for ion selectivity in potassium-selective channelrhodopsins.
Cell, 186, 2023
8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
8HTB
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BU of 8htb by Molmil
Staphylococcus aureus FtsZ 12-316 complexed with TXH9179
Descriptor: 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ...
Authors:Bryan, E, Ferrer-Gonzalez, E, Sagong, H.Y, Fujita, J, Mark, L, Kaul, M, LaVoie, E.J, Matsumura, H, Pilch, D.S.
Deposit date:2022-12-21
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and Antibacterial Characterization of a New Benzamide FtsZ Inhibitor with Superior Bactericidal Activity and In Vivo Efficacy Against Multidrug-Resistant Staphylococcus aureus.
Acs Chem.Biol., 18, 2023
8H7E
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BU of 8h7e by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) at 2.0 angstrom resolution
Descriptor: ACETATE ION, De novo ferric enterobactin esterase Syn-F4
Authors:Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
Deposit date:2022-10-19
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
5EZW
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BU of 5ezw by Molmil
Thiosulfate bound rat cysteine dioxygenase Y157H variant
Descriptor: Cysteine dioxygenase type 1, FE (II) ION, THIOSULFATE
Authors:Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
Deposit date:2015-11-27
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Thiosulfate bound rat cysteine dioxygenase Y157H variant
To be published
5ICZ
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BU of 5icz by Molmil
Cetuximab Fab in complex with GQFDLSTRRLKG peptide
Descriptor: Cetuximab Fab heavy chain, Cetuximab Fab light chain, Meditope, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2016-02-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5ITV
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BU of 5itv by Molmil
Crystal structure of Bacillus subtilis BacC Dihydroanticapsin 7-dehydrogenase in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dihydroanticapsin 7-dehydrogenase
Authors:Perinbam, K, Balaram, H, Row, T.N.G, Gopal, B.
Deposit date:2016-03-17
Release date:2017-02-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Probing the influence of non-covalent contact networks identified by charge density analysis on the oxidoreductase BacC.
Protein Eng. Des. Sel., 30, 2017
4QH0
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BU of 4qh0 by Molmil
Crystal structure of NucA from Streptococcus agalactiae with magnesium ion bound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA-entry nuclease (Competence-specific nuclease), ...
Authors:Moon, A.F, Gaudu, P, Pedersen, L.C.
Deposit date:2014-05-26
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of the virulence factor nuclease A from Streptococcus agalactiae.
Acta Crystallogr.,Sect.D, 70, 2014
5J0R
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BU of 5j0r by Molmil
Binary complex crystal structure of DNA polymerase Beta with C:A mismatch at the primer terminus
Descriptor: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-28
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
5J0X
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BU of 5j0x by Molmil
Binary complex crystal structure of DNA polymerase Beta with T:G mismatch at the primer terminus
Descriptor: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-28
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
5F23
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BU of 5f23 by Molmil
Crystal structure of NH(3)-dependent NAD(+) synthetase Pseudomonas aeruginosa in complex with NAD
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NH(3)-dependent NAD(+) synthetase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-12-01
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of NH(3)-dependent NAD(+) synthetase Pseudomonas aeruginosa in complex with NAD
to be published

223790

数据于2024-08-14公开中

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