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7W1N
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BU of 7w1n by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP
分子名称: 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-19
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7D6E
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BU of 7d6e by Molmil
Structural insights into membrane remodeling by SNX1
分子名称: Sorting nexin-1
著者Zhang, Y, Pang, X, Sun, F.
登録日2020-09-30
公開日2021-03-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Structural insights into membrane remodeling by SNX1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7W44
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BU of 7w44 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP
分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-26
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W45
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BU of 7w45 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP
分子名称: CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-26
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7D6D
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BU of 7d6d by Molmil
Structural insights into membrane remodeling by SNX1
分子名称: Sorting nexin-1
著者Zhang, Y, Pang, X, Sun, F.
登録日2020-09-30
公開日2021-03-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Structural insights into membrane remodeling by SNX1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7WAY
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BU of 7way by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at nts loading state
分子名称: DNA (27-MER), DNA (33-MER), RNA, ...
著者Zhang, S, Liu, J.J.G.
登録日2021-12-15
公開日2022-03-16
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
8FMZ
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BU of 8fmz by Molmil
Neurotensin receptor allosterism revealed in complex with a biased allosteric modulator
分子名称: 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, MiniGq, ...
著者Krumm, B.E, Diberto, J.F, Olsen, R.H.J, Kang, H, Slocum, S.T, Zhang, S, Strachan, R.T, Fay, J.F, Roth, B.L.
登録日2022-12-26
公開日2023-03-29
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Neurotensin Receptor Allosterism Revealed in Complex with a Biased Allosteric Modulator.
Biochemistry, 62, 2023
7WB1
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BU of 7wb1 by Molmil
PlmCasX-sgRNAv2-dsDNA ternary complex at nts loading state
分子名称: NTS-DNA, RNA (121-MER), TS-DNA, ...
著者Zhang, S, Liu, J.J.G.
登録日2021-12-15
公開日2022-03-16
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
9AME
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BU of 9ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 S42G
分子名称: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
著者Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
登録日1999-01-24
公開日1999-04-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
9ANT
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BU of 9ant by Molmil
ANTENNAPEDIA HOMEODOMAIN-DNA COMPLEX
分子名称: ANTENNAPEDIA HOMEODOMAIN, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ...
著者Fraenkel, E, Pabo, C.O.
登録日1998-07-02
公開日1998-10-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Comparison of X-ray and NMR structures for the Antennapedia homeodomain-DNA complex.
Nat.Struct.Biol., 5, 1998
2G1K
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BU of 2g1k by Molmil
Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate at 1.75 angstrom resolution
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, SULFATE ION, ...
著者Gan, J, Gu, Y, Li, Y, Yan, H, Ji, X.
登録日2006-02-14
公開日2006-07-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue.
Biochemistry, 45, 2006
6LY4
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BU of 6ly4 by Molmil
The crystal structure of the BM3 mutant LG-23 in complex with testosterone
分子名称: 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ...
著者Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T.
登録日2020-02-13
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
5VGY
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BU of 5vgy by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
分子名称: (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ...
著者Peat, T.S.
登録日2017-04-11
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
7E1V
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BU of 7e1v by Molmil
Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ...
著者Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z.
登録日2021-02-03
公開日2021-10-13
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
8XZF
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BU of 8xzf by Molmil
Cryo-EM structure of the WN561-bound human APLNR-Gi complex
分子名称: Apelin receptor, 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, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
7E1X
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BU of 7e1x by Molmil
Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ...
著者Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z.
登録日2021-02-03
公開日2021-10-27
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
7W3H
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BU of 7w3h by Molmil
Structure of USP14-bound human 26S proteasome in substrate-engaged state ED2.1_USP14
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y.
登録日2021-11-25
公開日2022-05-04
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献USP14-regulated allostery of the human proteasome by time-resolved cryo-EM.
Nature, 605, 2022
7E1W
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BU of 7e1w by Molmil
Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ...
著者Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z.
登録日2021-02-03
公開日2021-10-27
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
8XZJ
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BU of 8xzj by Molmil
Cryo-EM structure of the WN353-bound human APLNR-Gi complex
分子名称: Apelin receptor, 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, ...
著者Wang, W, Ji, S, Zhang, Y.
登録日2024-01-21
公開日2024-03-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
2NTR
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BU of 2ntr by Molmil
Crystal structure of Human Bace-1 bound to inhibitor
分子名称: (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine, Beta-secretase 1
著者Munshi, S.
登録日2006-11-08
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Beta-secretase (BACE-1) inhibitors: accounting for 10s loop flexibility using rigid active sites.
Bioorg.Med.Chem.Lett., 17, 2007
3NBJ
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BU of 3nbj by Molmil
Crystal Structure of Y305F mutant of the copper amine oxidase from Hansenula polymorpha expressed in yeast
分子名称: COPPER (II) ION, PHOSPHATE ION, Peroxisomal primary amine oxidase
著者Chen, Z, Datta, S, DuBois, J.L, Klinman, J.P, Mathews, F.S.
登録日2010-06-03
公開日2010-08-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mutation at a strictly conserved, active site tyrosine in the copper amine oxidase leads to uncontrolled oxygenase activity.
Biochemistry, 49, 2010
1Q44
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BU of 1q44 by Molmil
Crystal Structure of an Arabidopsis Thaliana Putative Steroid Sulfotransferase
分子名称: MALONIC ACID, Steroid Sulfotransferase
著者Phillips Jr, G.N, Smith, D.W, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2003-08-01
公開日2003-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of At2g03760, a putative steroid sulfotransferase from Arabidopsis thaliana
Proteins, 57, 2004
4CM7
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BU of 4cm7 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: 5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-15
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLE
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BU of 4cle by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, DITHIANE DIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-14
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CMB
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BU of 4cmb by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: ACETATE ION, N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-16
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014

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