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8I16
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BU of 8i16 by Molmil
Crystal structure of the selenomethionine (SeMet)-derived Cas12g (D513A) mutant
Descriptor: Cas12g, ZINC ION
Authors:Zhang, B, Chen, J, Ye, Y.M, OuYang, S.Y.
Deposit date:2023-01-12
Release date:2023-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage.
Plos Genet., 19, 2023
8IN4
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BU of 8in4 by Molmil
Eisenia hydrolysis-enhancing protein from Aplysia kurodai
Descriptor: 25 kDa polyphenol-binding protein, ACETYL GROUP, GLYCEROL
Authors:Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
Deposit date:2023-03-08
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8IN6
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BU of 8in6 by Molmil
Eisenia hydrolysis-enhancing protein from Aplysia kurodai complex with tannic acid
Descriptor: 25 kDa polyphenol-binding protein, BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE
Authors:Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
Deposit date:2023-03-08
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8IN1
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BU of 8in1 by Molmil
beta-glucosidase protein from Aplysia kurodai
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-Glucosidase, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
Deposit date:2023-03-08
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
8IN3
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BU of 8in3 by Molmil
Eisenia hydrolysis-enhancing protein from Aplysia kurodai
Descriptor: 25 kDa polyphenol-binding protein, GLYCEROL
Authors:Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M.
Deposit date:2023-03-08
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
7D2L
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BU of 7d2l by Molmil
Crystal structure of the Cas12i1 R-loop complex before target DNA cleavage
Descriptor: 12i1-D647A, CITRIC ACID, DNA (26-MER), ...
Authors:Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
Deposit date:2020-09-16
Release date:2021-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
7D8C
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BU of 7d8c by Molmil
Crystal structure of the Cas12i1-crRNA binary complex
Descriptor: 12i1, CITRIC ACID, RNA (3-MER), ...
Authors:Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
Deposit date:2020-10-07
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
7D3J
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BU of 7d3j by Molmil
Crystal structure of the Cas12i1 R-loop complex after target DNA cleavage
Descriptor: 12i1-WT, CITRIC ACID, DNA (23-MER), ...
Authors:Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
Deposit date:2020-09-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
7EU9
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BU of 7eu9 by Molmil
Crystal structure of the selenomethionine(SeMet)-derived Cas12i1 R-loop complex before target DNA cleavage
Descriptor: CITRIC ACID, Cas12i1 D647A mutant, DNA (24-MER), ...
Authors:Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
Deposit date:2021-05-16
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
8IJK
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BU of 8ijk by Molmil
human KCNQ2-CaM-Ebio1 complex in the presence of PIP2
Descriptor: Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Guo, J.
Deposit date:2023-02-27
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 2024
7KID
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BU of 7kid by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72
Descriptor: (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
Authors:Palte, R.L.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KIC
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BU of 7kic by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34
Descriptor: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
Authors:Palte, R.L.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KIB
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BU of 7kib by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4
Descriptor: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Palte, R.L, Hayes, R.P.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7VS2
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BU of 7vs2 by Molmil
secreted fungal effector protein MoErs1
Descriptor: MoErs1
Authors:Wang, F.F, Xing, W.M.
Deposit date:2021-10-25
Release date:2023-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024
7X3X
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BU of 7x3x by Molmil
Cryo-EM structure of N1 nucleosome-RA
Descriptor: DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Lifei, L, Kangjing, C, Chen, Z.
Deposit date:2022-03-01
Release date:2023-09-20
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the ISW1a complex bound to the dinucleosome.
Nat.Struct.Mol.Biol., 31, 2024
7X3W
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BU of 7x3w by Molmil
Cryo-EM structure of ISW1-N1 nucleosome
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (146-MER), ...
Authors:Lifei, L, Kangjing, C, Chen, Z.
Deposit date:2022-03-01
Release date:2023-09-20
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the ISW1a complex bound to the dinucleosome.
Nat.Struct.Mol.Biol., 31, 2024
7X3V
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BU of 7x3v by Molmil
Cryo-EM structure of IOC3-N2 nucleosome
Descriptor: DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Lifei, L, Kangjing, C, Chen, Z.
Deposit date:2022-03-01
Release date:2023-09-20
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structure of the ISW1a complex bound to the dinucleosome.
Nat.Struct.Mol.Biol., 31, 2024
7X3T
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BU of 7x3t by Molmil
Cryo-EM structure of ISW1a-dinucleosome
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (343-MER), ...
Authors:Lifei, L, Kangjing, C, Chen, Z.
Deposit date:2022-03-01
Release date:2023-09-20
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Structure of the ISW1a complex bound to the dinucleosome.
Nat.Struct.Mol.Biol., 31, 2024
2LKP
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BU of 2lkp by Molmil
solution structure of apo-NmtR
Descriptor: HTH-type transcriptional regulator NmtR
Authors:Lee, C, Giedroc, D.
Deposit date:2011-10-18
Release date:2012-04-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of Mycobacterium tuberculosis NmtR in the Apo State: Insights into Ni(II)-Mediated Allostery.
Biochemistry, 51, 2012
6NKH
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BU of 6nkh by Molmil
Structure of MalC Reductase/Diels-Alderase from Malbranchea aurantiaca
Descriptor: Short chain dehydrogenase
Authors:Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKK
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BU of 6nkk by Molmil
Structure of PhqE Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and premalbrancheamide
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKI
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BU of 6nki by Molmil
Structure of PhqB Reductase Domain from Penicillium fellutanum
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NRPS
Authors:Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKM
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BU of 6nkm by Molmil
Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate
Descriptor: 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
7E44
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BU of 7e44 by Molmil
Crystal structure of NudC complexed with dpCoA
Descriptor: DEPHOSPHO COENZYME A, NADH pyrophosphatase, ZINC ION
Authors:Zhou, W, Guan, Z.Y, Yin, P, Zhang, D.L.
Deposit date:2021-02-10
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into dpCoA-RNA decapping by NudC.
Rna Biol., 18, 2021
7E0X
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BU of 7e0x by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with 4-hydroxyphenylacetic acid
Descriptor: 4-HYDROXYPHENYLACETATE, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.Y, Yang, G.F.
Deposit date:2021-01-28
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Rational Redesign of Enzyme via the Combination of Quantum Mechanics/Molecular Mechanics, Molecular Dynamics, and Structural Biology Study.
J.Am.Chem.Soc., 143, 2021

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