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6VLT
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BU of 6vlt by Molmil
Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Shah, M.B.
Deposit date:2020-01-25
Release date:2020-09-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights into the Effect of Genetic Polymorphism.
Mol.Pharmacol., 98, 2020
6Q7W
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BU of 6q7w by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20
Descriptor: GLYCEROL, Transcriptional regulator MvfR, ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
8G24
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BU of 8g24 by Molmil
Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin-G, MAP domain-containing protein, ...
Authors:Mishra, N.B, Geisbrecht, B.V.
Deposit date:2023-02-03
Release date:2023-04-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Simultaneous inhibition of two neutrophil serine proteases by the S. aureus innate immune evasion protein EapH2.
J.Biol.Chem., 299, 2023
8G25
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BU of 8g25 by Molmil
Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 7.5
Descriptor: Cathepsin-G, MAP domain-containing protein, Neutrophil elastase
Authors:Mishra, N.B, Geisbrecht, B.V.
Deposit date:2023-02-03
Release date:2023-04-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Simultaneous inhibition of two neutrophil serine proteases by the S. aureus innate immune evasion protein EapH2.
J.Biol.Chem., 299, 2023
8G26
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BU of 8g26 by Molmil
Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 8.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin-G, ...
Authors:Mishra, N.B, Geisbrecht, B.V.
Deposit date:2023-02-03
Release date:2023-04-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Simultaneous inhibition of two neutrophil serine proteases by the S. aureus innate immune evasion protein EapH2.
J.Biol.Chem., 299, 2023
8EVA
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BU of 8eva by Molmil
Cryo-EM structure of cGMP bound truncated human CNGA3/CNGB3 channel in lipid nanodisc, transition state 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ...
Authors:Hu, Z, Yang, J.
Deposit date:2022-10-20
Release date:2023-08-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
9G5G
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BU of 9g5g by Molmil
Glycoside Hydrolase Family 157 from Labilibaculum antarcticum (LaGH157) in complex with Laminaribiose
Descriptor: GLYCEROL, Glycoside hydrolase family 2 catalytic domain-containing protein, MALONIC ACID, ...
Authors:Caseiro, C, Alves, V.D, Carvalho, A.L, Bule, P.
Deposit date:2024-07-16
Release date:2025-05-21
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Family GH157 enzyme exhibits broad linkage tolerance and a dual endo/exo-beta-glucanase activity on beta-glucans.
Int.J.Biol.Macromol., 282, 2024
8EVB
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BU of 8evb by Molmil
Cryo-EM structure of cGMP bound truncated human CNGA3/CNGB3 channel in lipid nanodisc, pre-open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ...
Authors:Hu, Z, Yang, J.
Deposit date:2022-10-20
Release date:2023-08-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
8EV9
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BU of 8ev9 by Molmil
Cryo-EM structure of cGMP bound truncated human CNGA3/CNGB3 channel in lipid nanodisc, transition state 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ...
Authors:Hu, Z, Yang, J.
Deposit date:2022-10-20
Release date:2023-08-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
8EVC
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BU of 8evc by Molmil
Cryo-EM structure of cGMP bound truncated human CNGA3/CNGB3 channel in lipid nanodisc, open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ...
Authors:Hu, Z, Yang, J.
Deposit date:2022-10-20
Release date:2023-08-09
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
8EV8
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BU of 8ev8 by Molmil
Cryo-EM structure of cGMP bound truncated human CNGA3/CNGB3 channel in lipid nanodisc, closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ...
Authors:Hu, Z, Yang, J.
Deposit date:2022-10-20
Release date:2023-08-09
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
6VZA
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BU of 6vza by Molmil
Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, CHLORIDE ION, ...
Authors:Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
Deposit date:2020-02-28
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
8QD9
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BU of 8qd9 by Molmil
Wdyg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene
Descriptor: 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3,6,8-tetrol
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
7UYK
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BU of 7uyk by Molmil
Structure of RNF31 in complex with FP06655, a Helicon Polypeptide
Descriptor: AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06655, ...
Authors:Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J.
Deposit date:2022-05-06
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
8QDA
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BU of 8qda by Molmil
Wdyg1p Ser256DHA (PMSF)
Descriptor: 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, Yellowish-green 1-like protein
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
7UY2
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BU of 7uy2 by Molmil
Structure of RNF31 in complex with FP06649, a Helicon Polypeptide
Descriptor: AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06649, ...
Authors:Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J.
Deposit date:2022-05-06
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
5SU5
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BU of 5su5 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03E05 from the F2X-Universal Library
Descriptor: 5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
Authors:Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
7UYJ
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BU of 7uyj by Molmil
Structure of RNF31 in complex with FP06652, a Helicon Polypeptide
Descriptor: AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06652, ...
Authors:Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J.
Deposit date:2022-05-06
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
1AJG
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BU of 1ajg by Molmil
CARBONMONOXY MYOGLOBIN AT 40 K
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Teng, T.Y, Srajer, V, Moffat, K.
Deposit date:1997-05-02
Release date:1997-11-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Photolysis-induced structural changes in single crystals of carbonmonoxy myoglobin at 40 K.
Nat.Struct.Biol., 1, 1994
6Q7V
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BU of 6q7v by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 11
Descriptor: Transcriptional regulator MvfR, ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6GO7
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BU of 6go7 by Molmil
TdT chimera (Loop1 of pol mu) - full DNA synapsis complex
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*AP*AP*C)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*GP*C)-3'), ...
Authors:Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M.
Deposit date:2018-06-01
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019
5STN
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BU of 5stn by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03A11 from the F2X-Universal Library
Descriptor: A1 cistron-splicing factor AAR2, N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine, Pre-mRNA-splicing factor 8
Authors:Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
9JA1
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BU of 9ja1 by Molmil
The RNA polymerase II elongation complex from Saccharomyces cerevisiae
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*CP*TP*CP*CP*TP*TP*CP*TP*CP*CP*CP*AP*TP*CP*CP*TP*CP*TP*CP*GP*AP*T)-3'), DNA (5'-D(P*TP*GP*GP*GP*AP*GP*AP*AP*GP*GP*AP*GP*C)-3'), ...
Authors:Yi, G, Ma, J, Zhang, P.
Deposit date:2024-08-23
Release date:2024-09-04
Last modified:2024-12-11
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Open architecture of archaea MCM and dsDNA complexes resolved using monodispersed streptavidin affinity CryoEM.
Nat Commun, 15, 2024
6H3E
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BU of 6h3e by Molmil
Receptor-bound Ghrelin conformation
Descriptor: Appetite-regulating hormone, octan-1-amine
Authors:Ferre, G, Damian, M, M'Kadmi, C, Saurel, O, Czaplicki, G, Demange, P, Marie, J, Fehrentz, J.A, Baneres, J.L, Milon, A.
Deposit date:2018-07-18
Release date:2019-07-24
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Structure and dynamics of G protein-coupled receptor-bound ghrelin reveal the critical role of the octanoyl chain.
Proc.Natl.Acad.Sci.USA, 116, 2019
3G5F
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BU of 3g5f by Molmil
Crystallographic analysis of cytochrome P450 cyp121
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Belin, P, Le Du, M.H, Gondry, M.
Deposit date:2009-02-05
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009

238582

數據於2025-07-09公開中

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