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8JXW
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BU of 8jxw by Molmil
VUF6884-bound H4R/Gi complex
Descriptor: 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine, 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, ...
Authors:He, Y, Xia, R.
Deposit date:2023-07-01
Release date:2024-03-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
8JXV
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BU of 8jxv by Molmil
Clozapine-bound H4R/Gi complex
Descriptor: 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine, 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, ...
Authors:He, Y, Xia, R.
Deposit date:2023-07-01
Release date:2024-03-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
4YFJ
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BU of 4yfj by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-Ib
Descriptor: Aminoglycoside 3'-N-acetyltransferase, SULFATE ION
Authors:Stogios, P.J, Xu, Z, Evdokimova, E, Yim, V, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-02-25
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of aminoglycoside acetyltransferase AAC(3)-Ib
To Be Published
8KGG
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BU of 8kgg by Molmil
LPS-bound P2Y10 in complex with G13
Descriptor: (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, 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, ...
Authors:He, Y, Yin, Y.
Deposit date:2023-08-19
Release date:2024-07-31
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Insights into lysophosphatidylserine recognition and G alpha 12/13 -coupling specificity of P2Y10.
Cell Chem Biol, 2024
1URE
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BU of 1ure by Molmil
NMR STRUCTURE OF INTESTINAL FATTY ACID-BINDING PROTEIN COMPLEXED WITH PALMITATE, 20 STRUCTURES
Descriptor: INTESTINAL FATTY ACID-BINDING PROTEIN, PALMITIC ACID
Authors:Hodsdon, M.E, Ponder, J.W, Cistola, D.P.
Deposit date:1996-06-17
Release date:1997-03-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The NMR solution structure of intestinal fatty acid-binding protein complexed with palmitate: application of a novel distance geometry algorithm.
J.Mol.Biol., 264, 1996
7CFI
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BU of 7cfi by Molmil
Structure of the CBS domain of the bacterial CNNM/CorC family Mg2+ transporter in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Hemolysin, MAGNESIUM ION
Authors:Huang, Y, Jin, F, Hattori, M.
Deposit date:2020-06-25
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for the Mg 2+ recognition and regulation of the CorC Mg 2+ transporter.
Sci Adv, 7, 2021
7CFG
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BU of 7cfg by Molmil
Structure of the transmembrane domain of the bacterial CNNM/CorC family Mg2+ transporter in complex with Mg2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Hemolysin, MAGNESIUM ION, ...
Authors:Huang, Y, Jin, F, Hattori, M.
Deposit date:2020-06-25
Release date:2021-02-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for the Mg 2+ recognition and regulation of the CorC Mg 2+ transporter.
Sci Adv, 7, 2021
7CFF
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BU of 7cff by Molmil
Structure of the thermostabilized transmembrane domain of the bacterial CNNM/CorC family Mg2+ transporter in complex with Mg2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hemolysin, ...
Authors:Huang, Y, Jin, F, Hattori, M.
Deposit date:2020-06-25
Release date:2021-02-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the Mg 2+ recognition and regulation of the CorC Mg 2+ transporter.
Sci Adv, 7, 2021
7CFH
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BU of 7cfh by Molmil
Structure of the CBS domain of the bacterial CNNM/CorC family Mg2+ transporter
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Hemolysin
Authors:Huang, Y, Jin, F, Hattori, M.
Deposit date:2020-06-25
Release date:2021-02-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the Mg 2+ recognition and regulation of the CorC Mg 2+ transporter.
Sci Adv, 7, 2021
7CFK
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BU of 7cfk by Molmil
Structure of the CBS domain of the bacterial CNNM/CorC family Mg2+ transporter in complex with the novel inhibitor IGN95a
Descriptor: (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hemolysin
Authors:Huang, Y, Jin, F, Hattori, M.
Deposit date:2020-06-25
Release date:2021-04-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and mechanistic analysis of an inhibitor of the CorC Mg 2+ transporter.
Iscience, 24, 2021
7CXS
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BU of 7cxs by Molmil
Crystal structure of CmnK, a L-Dap formation enzyme in capreomycin biosynthesis
Descriptor: CmnK
Authors:Chang, C.Y, Hsu, S.H.
Deposit date:2020-09-02
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Characterization of Enzymes Catalyzing the Formation of the Nonproteinogenic Amino Acid l-Dap in Capreomycin Biosynthesis.
Biochemistry, 60, 2021
7CXV
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BU of 7cxv by Molmil
Crystal structure of CmnK
Descriptor: CmnK
Authors:Chang, C.Y, Hsu, S.H.
Deposit date:2020-09-02
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Characterization of Enzymes Catalyzing the Formation of the Nonproteinogenic Amino Acid l-Dap in Capreomycin Biosynthesis.
Biochemistry, 60, 2021
7CXU
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BU of 7cxu by Molmil
Crystal structure of CmnK in complex with NAD+
Descriptor: CmnK, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chang, C.Y, Hsu, S.H.
Deposit date:2020-09-02
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Characterization of Enzymes Catalyzing the Formation of the Nonproteinogenic Amino Acid l-Dap in Capreomycin Biosynthesis.
Biochemistry, 60, 2021
7DSY
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BU of 7dsy by Molmil
Crystal Structure of RNase L in complex with KM05073
Descriptor: 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, ...
Authors:Tang, J, Huang, H.
Deposit date:2021-01-03
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
7DTS
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BU of 7dts by Molmil
Crystal structure of RNase L in complex with AC40357
Descriptor: 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, Ribonuclease L, ...
Authors:Tang, J, Huang, H.
Deposit date:2021-01-06
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
7ELW
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BU of 7elw by Molmil
Crystal structure of RNase L in complex with Myricetin
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATE ION, Ribonuclease L, ...
Authors:Tang, J, Huang, H.
Deposit date:2021-04-12
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
7DZE
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BU of 7dze by Molmil
Fabp ground state captured by XFELs
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZH
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BU of 7dzh by Molmil
intermediate of FABP with a delay time of 100 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZF
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BU of 7dzf by Molmil
Intermediate of FABP with a delay time of 10 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZG
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BU of 7dzg by Molmil
Intermediate of FABP with a delay time of 30 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZI
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BU of 7dzi by Molmil
intermediate of FABP with a delay time of 300 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZJ
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BU of 7dzj by Molmil
Fabp protein before hv
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZK
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BU of 7dzk by Molmil
Fabp protein after hv
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZL
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BU of 7dzl by Molmil
A69C-M71L mutant of Fabp protein
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7VGN
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BU of 7vgn by Molmil
Crystal structure of CmnC
Descriptor: 2-OXOGLUTARIC ACID, ACETATE ION, CmnC, ...
Authors:Huang, S.J, Hsiao, Y.H, Lin, E.C, Lee, Y.C, Zheng, Y.Z, Chang, C.Y.
Deposit date:2021-09-17
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022

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數據於2024-10-16公開中

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