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5CW3
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BU of 5cw3 by Molmil
Structure of CfBRCC36-CfKIAA0157 complex (Zn Edge)
Descriptor: BRCA1/BRCA2-containing complex subunit 3, Protein FAM175B, ZINC ION
Authors:Zeqiraj, E.
Deposit date:2015-07-27
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function.
Mol.Cell, 59, 2015
5CYB
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BU of 5cyb by Molmil
Structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Carrasco-Lopez, C, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.A.
Deposit date:2015-07-30
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unraveling the function and structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae
To Be Published
7QQI
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BU of 7qqi by Molmil
Sucrose phosphorylase from Faecalibaculum rodentium
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aamy domain-containing protein
Authors:Ubiparip, Z, Capra, N, Rozeboom, H.J, Desmet, T, Thunnissen, A.M.W.H.
Deposit date:2022-01-08
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Sucrose phosphorylase from Faecalibaculum rodentium
To Be Published
5D3K
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BU of 5d3k by Molmil
Crystal structure of the thioesterase domain of deoxyerythronolide B synthase
Descriptor: CALCIUM ION, Erythronolide synthase, modules 5 and 6, ...
Authors:Bergeret, F, Argyropoulos, P, Boddy, C.N, Schmeing, T.M.
Deposit date:2015-08-06
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis.
Biochim.Biophys.Acta, 1860, 2015
5D5G
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BU of 5d5g by Molmil
Structure of colocasia esculenta agglutinin
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, SULFATE ION, ...
Authors:Biswas, H, Chattopadhyaya, R.
Deposit date:2015-08-10
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure Colocasia esculenta tuber agglutinin at 1.74A resolution and its quaternary interactions
J GLYCOBIO, 6, 2017
6NS8
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BU of 6ns8 by Molmil
RDC-refined SOLUTION NMR STRUCTURE OF PROTEIN PF2048.1
Descriptor: Uncharacterized protein
Authors:Daigham, N.S, Liu, G, Swapna, G.V.T, Cole, C, Valafar, H, Montelione, G.T.
Deposit date:2019-01-24
Release date:2020-01-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:REDCRAFT: A Computational Platform Using Residual Dipolar Coupling NMR Data for Determining Structures of Perdeuterated Proteins Without NOEs
To Be Published
7QSG
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BU of 7qsg by Molmil
Methylmannose polysaccharide mannosyltransferase from M. hassiacum
Descriptor: D-inositol 3-phosphate glycosyltransferase
Authors:Manso, J.A, Ripoll-Rozada, J, Pereira, P.J.B.
Deposit date:2022-01-13
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Self-recycling and partially conservative replication of mycobacterial methylmannose polysaccharides.
Commun Biol, 6, 2023
6NF2
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BU of 6nf2 by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-c.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
Descriptor: 0PV-c.01 Heavy Chain, 0PV-c.01 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2018-12-18
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6NT3
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BU of 6nt3 by Molmil
Cryo-EM structure of a human-cockroach hybrid Nav channel.
Descriptor: (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Clairfeuille, T, Rohou, A, Payandeh, J.
Deposit date:2019-01-28
Release date:2019-02-20
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of a human-cockroach hybrid Nav channel in the presence and absence of the alpha-scorpion toxin AaH2.
Science, 2019
8JRL
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BU of 8jrl by Molmil
Crystal structure of P450 TleB with an indole alkaloid
Descriptor: (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, J, Yan, W.P.
Deposit date:2023-06-17
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering.
Sci China Chem, 66, 2023
8K2H
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BU of 8k2h by Molmil
Crystal structure of Group 2Oligosaccharide/Monosaccharide-releasing beta-N-acetylhexosaminidase NgaAt from Arabidopsis thaliana in complex with GalNAc-thiazoline
Descriptor: (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sumida, T, Fushinobu, S.
Deposit date:2023-07-12
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genetic and functional diversity of beta-N-acetylgalactosamine-targeting glycosidases expanded by deep-sea metagenome analysis.
Nat Commun, 15, 2024
8K2I
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BU of 8k2i by Molmil
Crystal structure of Group 2 Oligosaccharide/Monosaccharide-releasing beta-N-acetylhexosaminidase NgaAt from Arabidopsis thaliana in complex with GlcNAc-thiazoline
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sumida, T, Fushinobu, S.
Deposit date:2023-07-12
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Genetic and functional diversity of beta-N-acetylgalactosamine-targeting glycosidases expanded by deep-sea metagenome analysis.
Nat Commun, 15, 2024
6NYV
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BU of 6nyv by Molmil
Structure of spastin AAA domain in complex with a quinazoline-based inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine, SULFATE ION, ...
Authors:Pisa, R, Cupido, T, Kapoor, T.M.
Deposit date:2019-02-12
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.425 Å)
Cite:Designing Allele-Specific Inhibitors of Spastin, a Microtubule-Severing AAA Protein.
J. Am. Chem. Soc., 141, 2019
8K55
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BU of 8k55 by Molmil
Crystal structure of sulfur transferase from Frondihabitans sp. PAMC28461 crystallized in the P1 space group
Descriptor: sulfur transferase
Authors:Nguyen, D.L, Do, H.
Deposit date:2023-07-21
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of sulfurtransferase from Frondihabitans sp. PAMC28461.
Plos One, 19, 2024
5CTY
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BU of 5cty by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CW5
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BU of 5cw5 by Molmil
Structure of CfBRCC36-CfKIAA0157 complex (QSQ mutant)
Descriptor: BRCA1/BRCA2-containing complex subunit 3, Protein FAM175B
Authors:Zeqiraj, E.
Deposit date:2015-07-27
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.736 Å)
Cite:Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function.
Mol.Cell, 59, 2015
8K57
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BU of 8k57 by Molmil
Crystal structure of sulfur transferase from Frondihabitans sp. PAMC28461 crystallized in the I21 space group
Descriptor: sulfur transferase
Authors:Nguyen, D.L, Do, H.
Deposit date:2023-07-21
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural and functional characterization of sulfurtransferase from Frondihabitans sp. PAMC28461.
Plos One, 19, 2024
6NPJ
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BU of 6npj by Molmil
Structure of the NKCC1 CTD
Descriptor: Sodium-potassium-chloride cotransporter 1
Authors:Feng, L, Liao, M.F, Orlando, B, Zhang, J.R.
Deposit date:2019-01-17
Release date:2019-07-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure and mechanism of the cation-chloride cotransporter NKCC1.
Nature, 572, 2019
5D7D
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BU of 5d7d by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-13
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
8K3C
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BU of 8k3c by Molmil
Nipah virus Attachment glycoprotein with 41-6 antibody fragment
Descriptor: Glycoprotein G, Heavy chain of 41-6 Fab fragments, Light chain of 41-6 Fab fragment
Authors:Sun, M.M.
Deposit date:2023-07-15
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Potent human neutralizing antibodies against Nipah virus derived from two ancestral antibody heavy chains.
Nat Commun, 15, 2024
7QAB
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BU of 7qab by Molmil
NMR Solution Structure of mussel adhesive protein Pvfp-5b
Descriptor: PVFP-5
Authors:Morando, M.A, Venturella, F, Pastore, A, Alfano, C.
Deposit date:2021-11-16
Release date:2022-08-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of recombinant Pvfp-5 beta reveals insights into mussel adhesion.
Commun Biol, 5, 2022
6NV9
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BU of 6nv9 by Molmil
BACE1 in complex with a macrocyclic inhibitor
Descriptor: (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 1, SULFATE ION
Authors:Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
Deposit date:2019-02-04
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
7QI2
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BU of 7qi2 by Molmil
Magic-angle spinning NMR structure of the human voltage-dependent anion channel 1 (E73V/C127A/C232S) in DMPC lipid bilayers
Descriptor: Voltage-dependent anion-selective channel protein 1
Authors:Najbauer, E.E, Andreas, L.B.
Deposit date:2021-12-14
Release date:2022-03-16
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Structure and Gating Behavior of the Human Integral Membrane Protein VDAC1 in a Lipid Bilayer.
J.Am.Chem.Soc., 144, 2022
6NW3
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BU of 6nw3 by Molmil
BACE1 in complex with a macrocyclic inhibitor
Descriptor: Beta-secretase 1, N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, SULFATE ION
Authors:Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
Deposit date:2019-02-05
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
8K8T
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BU of 8k8t by Molmil
Structure of CUL3-RBX1-KLHL22 complex
Descriptor: Cullin-3, Kelch-like protein 22
Authors:Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y.
Deposit date:2023-07-31
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22.
Nat Commun, 15, 2024

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數據於2024-08-28公開中

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