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6QVJ
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BU of 6qvj by Molmil
HsCKK (human CAMSAP1) decorated 14pf taxol-GDP microtubule
分子名称: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-03-02
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
8F5K
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BU of 8f5k by Molmil
Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110A mutant
分子名称: Azurin, COPPER (II) ION
著者Zeug, M, Offenbacher, A.R, Choe, J.
登録日2022-11-14
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Electrochemical and Structural Study of the Buried Tryptophan in Azurin: Effects of Hydration and Polarity on the Redox Potential of W48.
J.Phys.Chem.B, 127, 2023
6YPF
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BU of 6ypf by Molmil
NUDIX1 hydrolase from Rosa x hybrida in complex with geranyl pyrophosphate
分子名称: GERANYL DIPHOSPHATE, Geranyl diphosphate phosphohydrolase
著者Degut, C, Rety, S, Tisne, C, Baudino, S.
登録日2020-04-16
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Functional diversification in the Nudix hydrolase gene family drives sesquiterpene biosynthesis in Rosa × wichurana.
Plant J., 104, 2020
8F5L
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BU of 8f5l by Molmil
Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110L mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
著者Zeug, M, Offenbacher, A.R, Choe, J.
登録日2022-11-14
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Electrochemical and Structural Study of the Buried Tryptophan in Azurin: Effects of Hydration and Polarity on the Redox Potential of W48.
J.Phys.Chem.B, 127, 2023
8DZK
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BU of 8dzk by Molmil
Dbr1 in complex with 5-mer cleavage product
分子名称: FE (II) ION, RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3'), RNA lariat debranching enzyme, ...
著者Clark, N.E, Taylor, A.B.
登録日2022-08-08
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the RNA Lariat Debranching Enzyme Dbr1 with Hydrolyzed Phosphorothioate RNA Product.
Biochemistry, 61, 2022
8EK4
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BU of 8ek4 by Molmil
De novo designed ice-binding proteins from twist-constrained helices
分子名称: Ice-binding protein TIP-99a
著者Bera, A.K, De Haas, R.J.
登録日2022-09-19
公開日2023-07-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献De novo designed ice-binding proteins from twist-constrained helices.
Proc.Natl.Acad.Sci.USA, 120, 2023
6QVE
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BU of 6qve by Molmil
NgCKK (Naegleria Gruberi CKK) decorated 14pf taxol-GDP microtubule
分子名称: Beta1-tubulin, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-03-01
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
6QUY
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BU of 6quy by Molmil
NgCKK (N.Gruberi CKK) decorated 13pf taxol-GDP microtubule
分子名称: CKK domain protein, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-02-28
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
6QUS
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BU of 6qus by Molmil
HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule
分子名称: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-02-28
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
8EWV
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BU of 8ewv by Molmil
DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F.
登録日2022-10-24
公開日2023-10-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献DNA-encoded library-enabled discovery of proximity-inducing small molecules.
Nat.Chem.Biol., 20, 2024
8ETQ
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BU of 8etq by Molmil
Designed pentafoil knot protein folded into a trefoil knot
分子名称: k-cTRP5
著者Doyle, L.A, Kibler, R.D, Bradley, P, Stoddard, B.L.
登録日2022-10-17
公開日2023-10-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
7CND
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BU of 7cnd by Molmil
NCI-1 in complex with CRM1-Ran-RanBP1
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
著者Sun, Q, Lei, Y.
登録日2020-07-31
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021
6ZVF
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BU of 6zvf by Molmil
Crystal structure of the recombinant Fab fragment derived from the hybridoma M3/38 in complex with a human Galectin-3 peptide
分子名称: Chimeric Fab M3/38 (L,H), Galectin-3
著者Skerra, A, Eichinger, A.
登録日2020-07-24
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Effective rational humanization of a PASylated anti-galectin-3 Fab for the sensitive PET imaging of thyroid cancer in vivo.
Sci Rep, 11, 2021
6V4R
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BU of 6v4r by Molmil
Crystal structure of a chimeric MR78-like antibody chimera-1 Fab
分子名称: Chimera-1 Fab heavy chain, Chimera-1 Fab light chain
著者Bozhanova, N.G, Crowe, J.E, Meiler, J.
登録日2019-11-28
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Discovery of Marburg virus neutralizing antibodies from virus-naive human antibody repertoires using large-scale structural predictions.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V4Q
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BU of 6v4q by Molmil
Crystal structure of a MR78-like antibody naive-1 Fab
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Naive-1 Fab heavy chain, ...
著者Bozhanova, N.G, Crowe, J.E, Meiler, J.
登録日2019-11-28
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery of Marburg virus neutralizing antibodies from virus-naive human antibody repertoires using large-scale structural predictions.
Proc.Natl.Acad.Sci.USA, 117, 2020
1DLB
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BU of 1dlb by Molmil
HELICAL INTERACTIONS IN THE HIV-1 GP41 CORE REVEALS STRUCTURAL BASIS FOR THE INHIBITORY ACTIVITY OF GP41 PEPTIDES
分子名称: HIV-1 ENVELOPE GLYCOPROTEIN GP41
著者Shu, W, Liu, J, Ji, H, Rading, L, Jiang, S, Lu, M.
登録日1999-12-09
公開日1999-12-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Helical interactions in the HIV-1 gp41 core reveal structural basis for the inhibitory activity of gp41 peptides.
Biochemistry, 39, 2000
7CM0
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BU of 7cm0 by Molmil
Crystal structure of a glutaminyl cyclase in complex with NHV-1009
分子名称: 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea, Glutaminyl-peptide cyclotransferase, ZINC ION
著者Lee, J.W, Song, J.Y, Jang, T.H, Ha, J.H.
登録日2020-07-23
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of highly potent human glutaminyl cyclase (QC) inhibitors as anti-Alzheimer's agents by the combination of pharmacophore-based and structure-based design.
Eur.J.Med.Chem., 226, 2021
1DXR
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BU of 1dxr by Molmil
Photosynthetic reaction center from Rhodopseudomonas viridis - His L168 Phe mutant (terbutryn complex)
分子名称: 15-cis-1,2-dihydroneurosporene, 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE, BACTERIOCHLOROPHYLL B, ...
著者Lancaster, C.R.D, Bibikova, M, Sabatino, P, Oesterhelt, D, Michel, H.
登録日2000-01-15
公開日2001-01-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the drastically increased initial electron transfer rate in the reaction center from a Rhodopseudomonas viridis mutant described at 2.00-A resolution.
J. Biol. Chem., 275, 2000
7PF1
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BU of 7pf1 by Molmil
UVC treated Human apoferritin
分子名称: CHLORIDE ION, Ferritin heavy chain, N-terminally processed, ...
著者Renault, L, Depelteau, J.S, Briegel, A.
登録日2021-08-11
公開日2022-01-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献UVC inactivation of pathogenic samples suitable for cryo-EM analysis.
Commun Biol, 5, 2022
7Q5I
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BU of 7q5i by Molmil
A glucose-based molecular rotor probes the catalytic site of glycogen phosphorylase.
分子名称: 2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide, BETA-MERCAPTOETHANOL, CARBONATE ION, ...
著者Neofytos, D.D, Chrysina, E.D.
登録日2021-11-03
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A glucose-based molecular rotor inhibitor of glycogen phosphorylase as a probe of cellular enzymatic function.
Org.Biomol.Chem., 20, 2022
7Q22
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BU of 7q22 by Molmil
cryo iDPC-STEM structure recorded with CSA 2.0
分子名称: Capsid protein, RNA (5'-R(P*GP*AP*A)-3')
著者Sachse, C, Leidl, M.L.
登録日2021-10-22
公開日2022-09-21
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Single-particle cryo-EM structures from iDPC-STEM at near-atomic resolution.
Nat.Methods, 19, 2022
7Q2Q
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BU of 7q2q by Molmil
cryo iDPC-STEM structure recorded with CSA 3.5
分子名称: Capsid protein, RNA (5'-R(P*GP*AP*A)-3')
著者Sachse, C, Leidl, M.L.
登録日2021-10-26
公開日2022-09-21
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Single-particle cryo-EM structures from iDPC-STEM at near-atomic resolution.
Nat.Methods, 19, 2022
7Q2S
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BU of 7q2s by Molmil
cryo iDPC-STEM structure recorded with CSA 4.5
分子名称: Capsid protein, RNA (5'-R(P*GP*AP*A)-3')
著者Sachse, C, Leidl, M.L.
登録日2021-10-26
公開日2022-09-21
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Single-particle cryo-EM structures from iDPC-STEM at near-atomic resolution.
Nat.Methods, 19, 2022
7Q23
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BU of 7q23 by Molmil
cryo iDPC-STEM structure recorded with CSA 3.0
分子名称: Capsid protein, RNA (5'-R(P*GP*AP*A)-3')
著者Sachse, C, Leidl, M.L.
登録日2021-10-22
公開日2022-09-21
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Single-particle cryo-EM structures from iDPC-STEM at near-atomic resolution.
Nat.Methods, 19, 2022
6LQ9
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BU of 6lq9 by Molmil
S109 in complex with CRM1-Ran-RanBP1
分子名称: (3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Lei, Y.
登録日2020-01-13
公開日2021-06-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021

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