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4KNG
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BU of 4kng by Molmil
Crystal structure of human LGR5-RSPO1-RNF43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, E3 ubiquitin-protein ligase RNF43, Leucine-rich repeat-containing G-protein coupled receptor 5, ...
Authors:Chen, P.H, He, X.
Deposit date:2013-05-09
Release date:2013-06-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis of R-spondin recognition by LGR5 and RNF43.
Genes Dev., 27, 2013
6LJA
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BU of 6lja by Molmil
Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein
Authors:Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
Deposit date:2019-12-13
Release date:2020-12-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
6LJL
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BU of 6ljl by Molmil
Crystal Structure of exoHep-Y390A/H555A complexed with a tetrasaccharide substrate
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein
Authors:Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
Deposit date:2019-12-17
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
5C20
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BU of 5c20 by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 2
Descriptor: 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1U
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BU of 5c1u by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound Xb
Descriptor: (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1X
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BU of 5c1x by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound VIII
Descriptor: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1Y
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BU of 5c1y by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 1
Descriptor: 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
7WUE
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BU of 7wue by Molmil
Crystal structure of SARS-CoV-2 Receptor Binding Domain in complex with the monoclonal antibody m31A7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, 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, ...
Authors:Mohapatra, A.
Deposit date:2022-02-08
Release date:2022-03-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Vaccination with SARS-CoV-2 spike protein lacking glycan shields elicits enhanced protective responses in animal models.
Sci Transl Med, 14, 2022
5C8Y
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BU of 5c8y by Molmil
Crystal structure of T2R-TTL-Plinabulin complex
Descriptor: (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2015-06-26
Release date:2015-11-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
5CA1
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BU of 5ca1 by Molmil
Crystal structure of T2R-TTL-Nocodazole complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2015-06-29
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
5CA0
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BU of 5ca0 by Molmil
Crystal structure of T2R-TTL-Lexibulin complex
Descriptor: 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2015-06-29
Release date:2015-11-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
5CB4
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BU of 5cb4 by Molmil
Crystal structure of T2R-TTL-Tivantinib complex
Descriptor: (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
Descriptor: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
Authors:Li, S, Yang, A.
Deposit date:2022-12-27
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023
8HPB
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BU of 8hpb by Molmil
NMR Structure of OsCIE1-Ubox S237D mutant
Descriptor: U-box domain-containing protein 12
Authors:Zhang, Y, Yu, C.Z, Lan, W.X.
Deposit date:2022-12-12
Release date:2023-12-20
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
8HQB
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BU of 8hqb by Molmil
NMR Structure of OsCIE1-Ubox
Descriptor: U-box domain-containing protein 12
Authors:Zhang, Y, Yu, C.Z, Lan, W.X.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
8HZM
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BU of 8hzm by Molmil
A new fluorescent RNA aptamer bound with N, manganese soak
Descriptor: (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 20, 2024
8HZE
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BU of 8hze by Molmil
A new fluorescent RNA aptamer bound with N
Descriptor: (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 20, 2024
4QOC
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BU of 4qoc by Molmil
crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
8HZF
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BU of 8hzf by Molmil
A new fluorescent RNA aptamer bound with N565
Descriptor: (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 20, 2024
8HZD
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BU of 8hzd by Molmil
A new fluorescent RNA aptamer bound with N618
Descriptor: 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, RNA (36-MER)
Authors:Song, Q.Q, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 20, 2024
8HZJ
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BU of 8hzj by Molmil
A new fluorescent RNA aptamer bound with N571
Descriptor: (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 20, 2024
8HZK
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BU of 8hzk by Molmil
A new fluorescent RNA aptamer bound with N, iridium hexammine soak
Descriptor: (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, DI(HYDROXYETHYL)ETHER, IRIDIUM HEXAMMINE ION, ...
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 20, 2024
8HZL
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BU of 8hzl by Molmil
A new fluorescent RNA aptamer_III bound with N
Descriptor: (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, MAGNESIUM ION, RNA (84-MER)
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 20, 2024
1UNE
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BU of 1une by Molmil
CARBOXYLIC ESTER HYDROLASE, 1.5 ANGSTROM ORTHORHOMBIC FORM OF THE BOVINE RECOMBINANT PLA2
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-11-05
Release date:1998-05-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution refinement of orthorhombic bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.D, 55, 1999
4K3X
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BU of 4k3x by Molmil
Crystal structure of a subtype H18 hemagglutinin homologue from A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-04-11
Release date:2013-10-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013

238582

数据于2025-07-09公开中

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