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6EON
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BU of 6eon by Molmil
Galactanase BT0290
Descriptor: Beta-galactosidase, CALCIUM ION, alpha-D-galactopyranose
Authors:Basle, A, Munoz, J, Gilbert, H.
Deposit date:2017-10-10
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
5XNR
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BU of 5xnr by Molmil
Truncated AlyQ with CBM32 and alginate lyase domains
Descriptor: ACETATE ION, AlyQ, CALCIUM ION, ...
Authors:Teh, A.H, Sim, P.F.
Deposit date:2017-05-24
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional and Structural Studies of a Multidomain Alginate Lyase from Persicobacter sp. CCB-QB2.
Sci Rep, 7, 2017
5ZU6
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BU of 5zu6 by Molmil
A CBM32 derived from alginate lyase B (AlyB-OU02)
Descriptor: CBM32 domain, SODIUM ION
Authors:Liu, W, Lyu, Q, Zhang, K.
Deposit date:2018-05-07
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and biochemical characterization of a multidomain alginate lyase reveals a novel role of CBM32 in CAZymes
Biochim. Biophys. Acta, 1862, 2018
5ZU5
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BU of 5zu5 by Molmil
Crystal structure of a full length alginate lyase with CBM domain
Descriptor: GLYCEROL, SODIUM ION, alginate lyase
Authors:Liu, W, Lyu, Q, Li, Z.
Deposit date:2018-05-07
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and biochemical characterization of a multidomain alginate lyase reveals a novel role of CBM32 in CAZymes
Biochim. Biophys. Acta, 1862, 2018
5Y4M
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BU of 5y4m by Molmil
Discoidin domain of human CASPR2
Descriptor: 1,2-ETHANEDIOL, human CASPR2 Disc domain
Authors:Liu, H, Xu, F, Zhang, J, Liang, W.
Deposit date:2017-08-04
Release date:2018-08-08
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural mapping of hot spots within human CASPR2 discoidin domain for autoantibody recognition.
J. Autoimmun., 96, 2019
6FMF
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BU of 6fmf by Molmil
Neuropilin-1 b1 domain in complex with EG01377; 2.8 Angstrom structure
Descriptor: (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1, trifluoroacetic acid
Authors:Yelland, T, Djordjevic, S, Selwood, D, Zachary, I, Frankel, P.
Deposit date:2018-01-31
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.811 Å)
Cite:Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
6FMC
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BU of 6fmc by Molmil
Neuropilin1-b1 domain in complex with EG01377, 0.9 Angstrom structure
Descriptor: (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1
Authors:Yelland, T, Djordjevic, S, Fotinou, K, Selwood, D, Zachary, I, Frankel, P.
Deposit date:2018-01-30
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
6Q63
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BU of 6q63 by Molmil
BT0459
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, CALCIUM ION, ...
Authors:Basle, A, Crouch, L, Bolam, D.
Deposit date:2018-12-10
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Complex N-glycan breakdown by gut Bacteroides involves an extensive enzymatic apparatus encoded by multiple co-regulated genetic loci.
Nat Microbiol, 4, 2019
6MF0
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BU of 6mf0 by Molmil
Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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, CALCIUM ION, COPPER (I) ION, ...
Authors:Smith, I.W, Spiegel, P.C.
Deposit date:2018-09-07
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.19999886 Å)
Cite:The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain.
J.Thromb.Haemost., 18, 2020
6MF2
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BU of 6mf2 by Molmil
Improved Model of Human Coagulation Factor VIII
Descriptor: CALCIUM ION, COPPER (I) ION, Coagulation factor VIII, ...
Authors:Smith, I.W, Spiegel, P.C.
Deposit date:2018-09-08
Release date:2019-09-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.609364 Å)
Cite:The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain.
J.Thromb.Haemost., 18, 2020
6SH9
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BU of 6sh9 by Molmil
EngBF DARPin Fusion 4b D12
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-alpha-N-acetylgalactosaminidase,DARPin 4b D12, ...
Authors:Ernst, P, Pluckthun, A, Mittl, P.R.E.
Deposit date:2019-08-06
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of biological targets by host:guest crystal lattice engineering.
Sci Rep, 9, 2019
6OE2
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BU of 6oe2 by Molmil
X-Ray Structure of the C-terminal domain (277-440) of Putative chitobiase from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR324A. Re-refinement of 3GGL with correct metal Mn replacing Zn. New metal confirmed with PIXE analysis of original sample.
Descriptor: Chitobiase, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION
Authors:Snell, E.H, Garman, E.F, Lowe, E.D.
Deposit date:2019-03-27
Release date:2019-12-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application.
J.Am.Chem.Soc., 142, 2020
7K66
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BU of 7k66 by Molmil
Structure of Blood Coagulation Factor VIII in Complex with an Anti-C1 Domain Pathogenic Antibody Inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A9 heavy chain, ...
Authors:Childers, K.C, Gish, J, Jarvis, L, Peters, S, Garrels, C, Smith, I.W, Spencer, H.T, Spiegel, P.C.
Deposit date:2020-09-18
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.92 Å)
Cite:Structure of blood coagulation factor VIII in complex with an anti-C1 domain pathogenic antibody inhibitor.
Blood, 137, 2021
6TR3
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BU of 6tr3 by Molmil
Ruminococcus gnavus GH29 fucosidase E1_10125 in complex with fucose
Descriptor: CALCIUM ION, F5/8 type C domain-containing protein, MAGNESIUM ION, ...
Authors:Owen, C.D, Wu, H, Crost, E, Colvile, A, Juge, N, Walsh, M.A.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fucosidases from the human gut symbiont Ruminococcus gnavus.
Cell.Mol.Life Sci., 78, 2021
6TR4
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BU of 6tr4 by Molmil
Ruminococcus gnavus GH29 fucosidase E1_10125 D221A mutant in complex with fucose
Descriptor: CALCIUM ION, CHLORIDE ION, F5/8 type C domain-containing protein, ...
Authors:Owen, C.D, Wu, H, Crost, E, Colvile, A, Juge, N, Walsh, M.A.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Fucosidases from the human gut symbiont Ruminococcus gnavus.
Cell.Mol.Life Sci., 78, 2021
7JJC
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BU of 7jjc by Molmil
Crystal structure of neuropilin-1 b1 domain in complex with SARS-CoV-2 S1 C-end rule (CendR) peptide
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Neuropilin-1, ...
Authors:Chen, K.-E, Collins, B.M.
Deposit date:2020-07-25
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Neuropilin-1 is a host factor for SARS-CoV-2 infection.
Science, 370, 2020
7KBT
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BU of 7kbt by Molmil
Factor VIII in complex with the anti-C2 domain antibody, G99
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ronayne, E.K, Gish, J, Wilson, C, Peters, S, Spencer, H.T, Spiegel, P.C, Childers, K.C.
Deposit date:2020-10-02
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Structure of Blood Coagulation Factor VIII in Complex With an Anti-C2 Domain Non-Classical, Pathogenic Antibody Inhibitor
Front Immunol, 12, 2021
6TDB
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BU of 6tdb by Molmil
Neuropilin2-b1 domain in a complex with the C-terminal VEGFB167 peptide
Descriptor: 1,2-ETHANEDIOL, ACETYL GROUP, C-terminal VEGFB167 peptide, ...
Authors:Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S.
Deposit date:2019-11-08
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:NRP2-b1 domain in a complex with the C-terminal VEGFB167 peptide
To Be Published
7AZB
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BU of 7azb by Molmil
Structure of DDR2 DS domain in complex with VHH
Descriptor: Discoidin domain-containing receptor 2, VHH
Authors:Talagas, A, Nawrotek, A, Arrial, A, Vuillard, L.M, Miallau, L.
Deposit date:2020-11-16
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of DDR2 DS domain in complex with VHH
To Be Published
6TJT
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BU of 6tjt by Molmil
Neuropilin2-b1 domain in a complex with the C-terminal VEGFC peptide
Descriptor: 1,2-ETHANEDIOL, Neuropilin-2, SULFATE ION, ...
Authors:Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S.
Deposit date:2019-11-26
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:NRP2-b1 domain in a complex with the C-terminal VEGFC peptide
To Be Published
6TKK
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BU of 6tkk by Molmil
Neuropilin 1-b1 domain in a complex with the C-terminal VEGFB186 peptide
Descriptor: 1,2-ETHANEDIOL, ACE-ARG-PRO-GLN-PRO-ARG, Neuropilin-1
Authors:Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S.
Deposit date:2019-11-28
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Neuropilin 1-b1 domain in a complex with the C-terminal VEGFB186 peptide
To Be Published
7D2A
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BU of 7d2a by Molmil
CBM32 of AlyQ in complex with 4,5-unsaturated mannuronic acid
Descriptor: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, AlyQ, CALCIUM ION, ...
Authors:Teh, A.H, Sim, P.F.
Deposit date:2020-09-16
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural basis for binding uronic acids by family 32 carbohydrate-binding modules.
Biochem.Biophys.Res.Commun., 533, 2020
7D29
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BU of 7d29 by Molmil
CBM32 of AlyQ
Descriptor: AlyQ, CALCIUM ION
Authors:Teh, A.H, Sim, P.F.
Deposit date:2020-09-16
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for binding uronic acids by family 32 carbohydrate-binding modules.
Biochem.Biophys.Res.Commun., 533, 2020
6XLS
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BU of 6xls by Molmil
The 1.80 Angstrom crystal structure of galactose oxidase variant with genetically incorporated F2-Tyr272
Descriptor: ACETATE ION, CALCIUM ION, COPPER (II) ION, ...
Authors:Liu, A, Li, J.
Deposit date:2020-06-29
Release date:2021-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Formation of Monofluorinated Radical Cofactor in Galactose Oxidase through Copper-Mediated C-F Bond Scission.
J.Am.Chem.Soc., 142, 2020
6XLR
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BU of 6xlr by Molmil
The 1.23 Angstrom crystal structure of galactose oxidase variant with genetically incorporated Cl2-Tyr272
Descriptor: ACETATE ION, CALCIUM ION, COPPER (II) ION, ...
Authors:Liu, A, Li, J.
Deposit date:2020-06-29
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Formation of Monofluorinated Radical Cofactor in Galactose Oxidase through Copper-Mediated C-F Bond Scission.
J.Am.Chem.Soc., 142, 2020

221051

数据于2024-06-12公开中

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