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8CWZ
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Accurate computational design of genetically encoded 3D protein crystals
分子名称: I432-1-X3 Chain A, I432-1-X3 Chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-19
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (5.53 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8G62
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Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
分子名称: 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2023-02-14
公開日2023-02-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
To Be Published
8CWS
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Accurate computational design of genetically encoded 3D protein crystals
分子名称: F4132-2 Chain A, F4132-2 Chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-19
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
5M5B
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BU of 5m5b by Molmil
Crystal structure of Zika virus NS5 methyltransferase
分子名称: CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ...
著者Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J.
登録日2016-10-21
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives.
J. Virol., 91, 2017
8CUV
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BU of 8cuv by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: F4132-1 chain A, F4132-1 chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-17
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
6VM6
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BU of 6vm6 by Molmil
Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 2'3'3'-cAAA
分子名称: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3'), SAVED domain-containing protein, SULFATE ION
著者Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
登録日2020-01-27
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
1BNZ
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BU of 1bnz by Molmil
SSO7D HYPERTHERMOPHILE PROTEIN/DNA COMPLEX
分子名称: 5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3', DNA-BINDING PROTEIN 7A
著者Gao, Y.-G, Su, S.-Y, Robinson, H, Padmanabhan, S, Lim, L, Mccrary, B.S, Edmondos, S.P, Shrive, J.W, Wang, A.H.-J.
登録日1998-07-31
公開日1998-11-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of the hyperthermophile chromosomal protein Sso7d bound to DNA.
Nat.Struct.Biol., 5, 1998
6XP7
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BU of 6xp7 by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase
著者Nguyen, S, Bruning, J.B.
登録日2020-07-08
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
8TNV
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BU of 8tnv by Molmil
Hemocyanin Functional Unit CCHB-g of Concholepas concholepas
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Munoz, S, Vallejos-Baccelliere, G, Manubens, A, Salazar, M, Nascimento, A.F.Z, Ambrosio, A.L.B, Becker, M.I, Guixe, V, Castro-Fernandez, V.
登録日2023-08-02
公開日2024-04-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into a functional unit from an immunogenic mollusk hemocyanin.
Structure, 32, 2024
7QSJ
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BU of 7qsj by Molmil
Methylmannose polysaccharide hydrolase MmpH from M. hassiacum
分子名称: GLYCEROL, MAGNESIUM ION, Methylmannose polysaccharide hydrolase (MmpH), ...
著者Ripoll-Rozada, J, Manso, J.A, Pereira, P.J.B.
登録日2022-01-13
公開日2023-01-25
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Self-recycling and partially conservative replication of mycobacterial methylmannose polysaccharides.
Commun Biol, 6, 2023
6XVI
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BU of 6xvi by Molmil
Crystal structure of Megabody Mb-Nb207-c7HopQ_A12
分子名称: Outer membrane protein,Outer membrane protein,Mb-Nb207-c7HopQ_A12
著者Steyaert, J, Uchanski, T, Fischer, B.
登録日2020-01-22
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
6XWS
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BU of 6xws by Molmil
Crystal Structure of Drosophila CAL1 1-160 bound to CENP-A/H4
分子名称: Chromosome alignment defect 1,Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4
著者Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P.
登録日2020-01-24
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.36 Å)
主引用文献Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1.
Embo J., 39, 2020
6X86
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BU of 6x86 by Molmil
Crystal Structure of TNFalpha with indolinone compound 11
分子名称: 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, Tumor necrosis factor
著者Longenecker, K.L, Stoll, V.S.
登録日2020-06-01
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
1BUG
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BU of 1bug by Molmil
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES)-INHIBITOR COMPLEX WITH PHENYLTHIOUREA (PTU)
分子名称: COPPER (II) ION, N-PHENYLTHIOUREA, PROTEIN (CATECHOL OXIDASE)
著者Klabunde, T, Eicken, C, Sacchettini, J.C, Krebs, B.
登録日1998-09-03
公開日1999-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a plant catechol oxidase containing a dicopper center.
Nat.Struct.Biol., 5, 1998
6TKG
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BU of 6tkg by Molmil
Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 12keV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ...
著者Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B.
登録日2019-11-28
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
4XR7
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BU of 4xr7 by Molmil
Structure of the Saccharomyces cerevisiae PAN2-PAN3 core complex
分子名称: PAB-dependent poly(A)-specific ribonuclease subunit PAN2, PAB-dependent poly(A)-specific ribonuclease subunit PAN3
著者Schafer, I.B, Rode, M, Bonneau, F, Schussler, S, Conti, E.
登録日2015-01-20
公開日2015-01-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.796 Å)
主引用文献The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase.
Nat. Struct. Mol. Biol., 21, 2014
8TLZ
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BU of 8tlz by Molmil
Preclinical Characterization of Pan-NKG2D Ligand-Binding NKG2D Receptor Decoys
分子名称: (2S)-2-hydroxybutanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Rupert, P.B, Strong, R.
登録日2023-07-27
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Preclinical characterization of Pan-NKG2D ligand-binding NKG2D receptor decoys.
Heliyon, 10, 2024
8FUD
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BU of 8fud by Molmil
Crystal structure of Vps29 in complex with Chaetomium thermophilum Vps5 (71 to 80)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, PHOSPHATE ION, ...
著者Chen, K.-E, Collins, B.
登録日2023-01-17
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Molecular basis for the assembly of the Vps5-Vps17 SNX-BAR proteins with Retromer
Biorxiv, 2024
5LDZ
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BU of 5ldz by Molmil
Quadruple space group ambiguity due to rotational and translational non-crystallographic symmetry in human liver fructose-1,6-bisphosphatase
分子名称: CHLORIDE ION, Fructose-1,6-bisphosphatase 1, SULFATE ION, ...
著者Ruf, A, Tetaz, T, Schott, B, Joseph, C, Rudolph, M.G.
登録日2016-06-29
公開日2016-10-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Quadruple space-group ambiguity owing to rotational and translational noncrystallographic symmetry in human liver fructose-1,6-bisphosphatase.
Acta Crystallogr D Struct Biol, 72, 2016
8QEB
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BU of 8qeb by Molmil
S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 7.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ERGOSTEROL, ...
著者Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B.
登録日2023-08-31
公開日2023-10-18
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QEC
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S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 5.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, CHOLESTEROL HEMISUCCINATE, ...
著者Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B.
登録日2023-08-31
公開日2023-10-18
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QED
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S. cerevisia Niemann-Pick type C protein NCR1 in LMNG at pH 5.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, NPC intracellular sterol transporter 1-related protein 1, ...
著者Frain, K.M, Nel, L, Dedic, E, Olesen, E, Stokes, D, Panyella Pedersen, B.
登録日2023-08-31
公開日2023-10-18
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QEE
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BU of 8qee by Molmil
S. cerevisia Niemann-Pick type C protein NCR1 in Peptidisc at pH 7.5
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, CHOLESTEROL HEMISUCCINATE, ...
著者Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B.
登録日2023-08-31
公開日2023-10-18
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
6TKJ
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BU of 6tkj by Molmil
Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 7keV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain, ...
著者Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B.
登録日2019-11-28
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
8G6J
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mRNA decoding in human is kinetically and structurally distinct from bacteria (GA state 2)
分子名称: (3R,6R,9S,12S,15S,18S,20R,24aR)-6-[(2S)-butan-2-yl]-3,12-bis[(1R)-1-hydroxy-2-methylpropyl]-8,9,11,17,18-pentamethyl-15-[(2S)-2-methylbutyl]hexadecahydropyrido[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19(21H)-heptone, (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 1,4-DIAMINOBUTANE, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-15
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023

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