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5GJ9
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BU of 5gj9 by Molmil
Crystal structure of Arabidopsis thaliana ACO2 in complex with POA
分子名称: 1-aminocyclopropane-1-carboxylate oxidase 2, PYRAZINE-2-CARBOXYLIC ACID, ZINC ION
著者Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W.
登録日2016-06-28
公開日2017-05-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase.
Nat Commun, 8, 2017
4N0S
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BU of 4n0s by Molmil
Complex of ERK2 with caffeic acid
分子名称: CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Kurinov, I, Malakhova, M.
登録日2013-10-02
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7992 Å)
主引用文献Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
3PDV
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BU of 3pdv by Molmil
Structure of the PDlim2 PDZ domain in complex with the C-terminal 6-peptide extension of NS1
分子名称: PDZ and LIM domain protein 2, C-teminal peptide from Nonstructural protein 1, SODIUM ION
著者Li, X.
登録日2010-10-25
公開日2011-09-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PDlim2 selectively interacts with the PDZ binding motif of highly pathogenic avian H5N1 influenza A virus NS1
Plos One, 6, 2011
6JLP
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BU of 6jlp by Molmil
XFEL structure of cyanobacterial photosystem II (3F state, dataset2)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JLN
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BU of 6jln by Molmil
XFEL structure of cyanobacterial photosystem II (1F state, dataset2)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JLJ
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BU of 6jlj by Molmil
XFEL structure of cyanobacterial photosystem II (dark state, dataset1)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JLM
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BU of 6jlm by Molmil
XFEL structure of cyanobacterial photosystem II (dark state, dataset2)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
4U3F
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BU of 4u3f by Molmil
Cytochrome bc1 complex from chicken with designed inhibitor bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CARDIOLIPIN, ...
著者Huang, L.-S, Zhu, X.-L, Yang, G.F, Berry, E.A.
登録日2014-07-21
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2312 Å)
主引用文献Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization
Sci Rep, 5, 2015
6K10
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BU of 6k10 by Molmil
Non substrate bound state of Staphylococcus Aureus AldH
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase
著者Zhang, Z, Tao, X.
登録日2019-05-08
公開日2020-05-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.78962183 Å)
主引用文献Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase
CCS Chemistry, 2, 2020
6K0Z
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BU of 6k0z by Molmil
Substrate bound state of Staphylococcus Aureus AldH
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GLYCEROL
著者Zhang, Z, Tao, X.
登録日2019-05-08
公開日2020-05-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4967258 Å)
主引用文献Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase
CCS Chemistry, 2, 2020
4WC8
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BU of 4wc8 by Molmil
Heterogeneous dodecamer formed from macrocycles containing a sequence from beta-2-microglobulin(63-69).
分子名称: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-THR-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, ORN-TYR-LEU-LEU-PHI-TYR-THR-GLU-ORN-LYS-VAL-ALA-MLE-ALA-VAL-LYS, ...
著者Spencer, R.K, Nowick, J.S.
登録日2014-09-04
公開日2015-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.908 Å)
主引用文献X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
6XCJ
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BU of 6xcj by Molmil
Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ...
著者Raymond, D.D, Chug, H, Harrison, S.C.
登録日2020-06-08
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
1MLU
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BU of 1mlu by Molmil
NITRIC OXIDE RECOMBINATION TO DOUBLE MUTANTS OF MYOGLOBIN: THE ROLE OF LIGAND DIFFUSION IN A FLUCTUATING HEME POCKET
分子名称: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Quillin, M.L, Phillips Jr, G.N.
登録日1994-06-15
公開日1994-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nitric oxide recombination to double mutants of myoglobin: role of ligand diffusion in a fluctuating heme pocket.
Biochemistry, 33, 1994
4IQ2
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BU of 4iq2 by Molmil
P21 crystal form of FKBP12.6
分子名称: MALONIC ACID, Peptidyl-prolyl cis-trans isomerase FKBP1B
著者Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G.
登録日2013-01-10
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6.
Acta Crystallogr.,Sect.D, 70, 2014
4IQC
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BU of 4iqc by Molmil
P3121 crystal form of FKBP12.6
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B
著者Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G.
登録日2013-01-11
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6.
Acta Crystallogr.,Sect.D, 70, 2014
1N45
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BU of 1n45 by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN HEME OXYGENASE-1 (HO-1) IN COMPLEX WITH ITS SUBSTRATE HEME
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, heme oxygenase 1
著者Schuller, D.J, Wilks, A, Ortiz de Montellano, P.R, Poulos, T.L.
登録日2002-10-30
公開日2002-11-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1.
J. Biol. Chem., 278, 2003
8GZJ
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BU of 8gzj by Molmil
Crystal structure of Cd2+-bound DNA aptamer
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZL
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BU of 8gzl by Molmil
Crystal structure of Cd2+-bound DNA aptamer
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZM
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BU of 8gzm by Molmil
Crystal structure of Cd2+-bound DNA aptamer T22C mutant
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZK
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BU of 8gzk by Molmil
Crystal structure of Cd2+-bound DNA aptamer T10A mutant
分子名称: 25-mer DNA, BARIUM ION, CADMIUM ION
著者Gan, J.H, Liu, H.H, Gao, Y.Q.
登録日2022-09-27
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
5I77
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BU of 5i77 by Molmil
Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-02-17
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
6XRT
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BU of 6xrt by Molmil
Cryo-EM structure of SHIV-elicited RHA1.V2.01 in complex with HIV-1 Env BG505 DS-SOSIP.664
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Gorman, J, Kwong, P.D.
登録日2020-07-13
公開日2020-10-07
最終更新日2021-01-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
6SZE
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BU of 6sze by Molmil
RIP2 Kinase Catalytic Domain complex with 5-Amino-1-Phenylpyrazole-4-Carboxamide.
分子名称: 5-Amino-1-Phenylpyrazole-4-Carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Charnley, A.K, Shewchuk, L.
登録日2019-10-02
公開日2019-10-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6CFW
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BU of 6cfw by Molmil
cryoEM structure of a respiratory membrane-bound hydrogenase
分子名称: IRON/SULFUR CLUSTER, MBH subunit, Mbh13 NADH dehydrogenase subunit, ...
著者Li, H.L, Yu, H.J.
登録日2018-02-17
公開日2018-05-23
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of an Ancient Respiratory System.
Cell, 173, 2018
7SI9
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BU of 7si9 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-10-12
公開日2021-10-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022

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