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8AAG
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BU of 8aag by Molmil
H1-bound palindromic nucleosome, state 1
分子名称: DNA/RNA (185-MER), Histone H1.0-B, Histone H2A type 1, ...
著者Alegrio Louro, J, Beinsteiner, B, Cheng, T.C, Patel, A.K.M, Boopathi, R, Angelov, D, Hamiche, A, Bednar, J, Kale, S, Dimitrov, S, Klaholz, B.
登録日2022-07-01
公開日2022-12-14
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Nucleosome dyad determines the H1 C-terminus collapse on distinct DNA arms.
Structure, 31, 2023
3P46
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BU of 3p46 by Molmil
Integrin binding collagen peptide
分子名称: Synthetic collagen peptide
著者McEwan, P.A, Emsley, J.
登録日2010-10-06
公開日2011-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献End-stapled homo and hetero collagen triple helices: a click chemistry approach.
Chem.Commun.(Camb.), 47, 2011
6TQF
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BU of 6tqf by Molmil
The structure of ABC transporter Rv1819c in AMP-PNP bound state
分子名称: ABC transporter ATP-binding protein/permease, DODECYL-BETA-D-MALTOSIDE, MAGNESIUM ION, ...
著者Rempel, S, Gati, C, Slotboom, D.J, Guskov, A.
登録日2019-12-16
公開日2020-04-01
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds.
Nature, 580, 2020
5GO1
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BU of 5go1 by Molmil
Structural, Functional characterization and discovery of novel inhibitors of Leishmania amazonensis Nucleoside Diphosphatase Kinase (NDK)
分子名称: Nucleoside diphosphate kinase
著者Mishra, A.K, Agnihotri, P, Singh, S.P, Pratap, J.V.
登録日2016-07-26
公開日2017-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of novel inhibitors for Leishmania nucleoside diphosphatase kinase (NDK) based on its structural and functional characterization.
J. Comput. Aided Mol. Des., 31, 2017
6YXX
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BU of 6yxx by Molmil
State A of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate
分子名称: 12S ribosomal RNA, 50S ribosomal protein L13, putative, ...
著者Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N.
登録日2020-05-04
公開日2020-10-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
6TQE
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BU of 6tqe by Molmil
The structure of ABC transporter Rv1819c without addition of substrate
分子名称: ABC transporter ATP-binding protein/permease, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Rempel, S, Gati, C, Slotboom, D.J, Guskov, A.
登録日2019-12-16
公開日2020-04-01
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds.
Nature, 580, 2020
2DX3
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BU of 2dx3 by Molmil
NMR structure of DP5_conformation1: monomeric alpha-helix
分子名称: DP5_conformation1
著者Tamura, A, Araki, M.
登録日2006-08-23
公開日2007-01-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Transformation of an alpha-helix peptide into a beta-hairpin induced by addition of a fragment results in creation of a coexisting state.
Proteins, 66, 2006
6THT
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BU of 6tht by Molmil
High resolution crystal structure of a Leaf-branch compost cutinase quintuple variant
分子名称: CITRIC ACID, GLYCEROL, IMIDAZOLE, ...
著者Nomme, J.
登録日2019-11-21
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献An engineered PET depolymerase to break down and recycle plastic bottles.
Nature, 580, 2020
6CBU
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BU of 6cbu by Molmil
Crystal structure of C4S3: A computationally designed immunogen to target Carbohydrate-Occluded Epitopes on the HIV envelope
分子名称: Acylphosphatase-1, SULFATE ION
著者Zhu, C, Ke, H.M, Swanstrom, R, Dokholyan, N.V.
登録日2018-02-05
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Rationally designed carbohydrate-occluded epitopes elicit HIV-1 Env-specific antibodies.
Nat Commun, 10, 2019
6NSO
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BU of 6nso by Molmil
An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, IRON/SULFUR CLUSTER, Quinolinate synthase A
著者Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J.
登録日2019-01-25
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
3JUH
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BU of 3juh by Molmil
Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity
分子名称: CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ...
著者Niefind, K, Issinger, O.-G.
登録日2009-09-15
公開日2009-10-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate
J.Mol.Biol., 347, 2005
7K12
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BU of 7k12 by Molmil
ACMSD in complex with diflunisal
分子名称: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CITRIC ACID, ...
著者Yang, Y, Liu, A.
登録日2020-09-07
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
6NSU
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BU of 6nsu by Molmil
Crystallographic Capture of Quinolinate Synthase (NadA) from Pyrococcus horikoshii in its Substrates and Product-Bound States
分子名称: DIDEHYDROASPARTATE, IRON/SULFUR CLUSTER, Quinolinate synthase A
著者Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J.
登録日2019-01-25
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
6WL7
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BU of 6wl7 by Molmil
Cryo-EM of Form 2 like peptide filament, 29-20-2
分子名称: peptide 29-20-2
著者Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P.
登録日2020-04-18
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
6U0W
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BU of 6u0w by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS K133M at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G.
登録日2019-08-15
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
7K13
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BU of 7k13 by Molmil
ACMSD in complex with diflunisal derivative 14
分子名称: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 2-hydroxy-5-(thiophen-3-yl)benzoic acid, ZINC ION
著者Yang, Y, Liu, A.
登録日2020-09-07
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
8G3K
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BU of 8g3k by Molmil
Cryo-EM imaging scaffold subunits A and B used to display KRAS G12C complex with GDP
分子名称: Cob_adeno_trans domain-containing protein, Cryo-EM imaging scaffold subunit B with DARPin - RCG-33
著者Castells-Graells, R, Sawaya, M.R, Yeates, T.O.
登録日2023-02-08
公開日2023-08-09
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
6U0X
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BU of 6u0x by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS Q123D at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G.
登録日2019-08-15
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
6THS
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BU of 6ths by Molmil
High resolution crystal structure of Leaf-branch cutinase S165A variant
分子名称: 1,4-DIETHYLENE DIOXIDE, LCC
著者Nomme, J.
登録日2019-11-21
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献An engineered PET depolymerase to break down and recycle plastic bottles.
Nature, 580, 2020
2E4E
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BU of 2e4e by Molmil
NMR structure of D4P/K7G mutant of GPM12
分子名称: GPM12
著者Terada, T, Satoh, D, Mikawa, T, Ito, Y, Shimizu, K.
登録日2006-12-06
公開日2008-02-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Understanding the roles of amino acid residues in tertiary structure formation of chignolin by using molecular dynamics simulation
To be Published
2AT2
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BU of 2at2 by Molmil
MOLECULAR STRUCTURE OF BACILLUS SUBTILIS ASPARTATE TRANSCARBAMOYLASE AT 3.0 ANGSTROMS RESOLUTION
分子名称: ASPARTATE CARBAMOYLTRANSFERASE
著者Stevens, R.C, Reinisch, K.M, Lipscomb, W.N.
登録日1992-07-20
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular structure of Bacillus subtilis aspartate transcarbamoylase at 3.0 A resolution.
Proc.Natl.Acad.Sci.USA, 88, 1991
3PGF
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BU of 3pgf by Molmil
Crystal structure of maltose bound MBP with a conformationally specific synthetic antigen binder (sAB)
分子名称: GLYCEROL, IMIDAZOLE, Maltose-binding periplasmic protein, ...
著者Kossiakoff, A.A, Duguid, E.M, Sandstrom, A.
登録日2010-11-01
公開日2011-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric control of ligand-binding affinity using engineered conformation-specific effector proteins.
Nat.Struct.Mol.Biol., 18, 2011
6NMI
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BU of 6nmi by Molmil
Cryo-EM structure of the human TFIIH core complex
分子名称: CDK-activating kinase assembly factor MAT1, General transcription and DNA repair factor IIH helicase subunit XPB, General transcription and DNA repair factor IIH helicase subunit XPD, ...
著者Greber, B.J, Toso, D, Fang, J, Nogales, E.
登録日2019-01-10
公開日2019-03-13
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The complete structure of the human TFIIH core complex.
Elife, 8, 2019
2AG3
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BU of 2ag3 by Molmil
Heterocyclic Peptide Backbone Modification in Gcn4-pLI Based Coiled Coils: Substitution of the K(15)-L(16) amide with a triazole
分子名称: GCN4-pLI
著者Horne, W.S, Ghadiri, M.R.
登録日2005-07-26
公開日2006-08-08
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Copper-Catalyzed Azide-Alkyne Cycloaddition as a Non-native Ligation Strategy toward Backbone-Modified Peptides
To be Published
6KH3
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BU of 6kh3 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020

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