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6DJP
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BU of 6djp by Molmil
Integrin alpha-v beta-8 in complex with the Fabs 8B8 and 68
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 68 heavy chain Fab, ...
Authors:Cormier, A, Campbell, M.G, Nishimura, S.L, Cheng, Y.
Deposit date:2018-05-25
Release date:2018-07-25
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM structure of the alpha v beta 8 integrin reveals a mechanism for stabilizing integrin extension.
Nat. Struct. Mol. Biol., 25, 2018
7CSV
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BU of 7csv by Molmil
Pseudomonas aeruginosa antitoxin HigA
Descriptor: HTH cro/C1-type domain-containing protein
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
5Z8Q
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BU of 5z8q by Molmil
Solution structure of the SBDalpha domain of yeast Ssa1
Descriptor: Heat shock protein SSA1
Authors:Gong, W, Hu, W, Perrett, S.
Deposit date:2018-02-01
Release date:2018-09-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The C-terminal GGAP motif of Hsp70 mediates substrate recognition and stress response in yeast.
J. Biol. Chem., 293, 2018
7CSY
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BU of 7csy by Molmil
Pseudomonas aeruginosa antitoxin HigA with higBA promoter
Descriptor: DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ...
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
7CF9
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BU of 7cf9 by Molmil
Structure of RyR1 (Ca2+/CHL)
Descriptor: 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z.
Deposit date:2020-06-24
Release date:2020-09-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for diamide modulation of ryanodine receptor.
Nat.Chem.Biol., 16, 2020
1IHS
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BU of 1ihs by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN ALPHA-THROMBIN AND NON-HYDROLYZABLE BIFUNCTIONAL INHIBITORS, HIRUTONIN-2 AND HIRUTONIN-6
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUTONIN
Authors:Zdanov, A, Cygler, M.
Deposit date:1993-08-04
Release date:1994-01-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the complex of human alpha-thrombin and nonhydrolyzable bifunctional inhibitors, hirutonin-2 and hirutonin-6.
Proteins, 17, 1993
1IHT
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BU of 1iht by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN ALPHA-THROMBIN AND NON-HYDROLYZABLE BIFUNCTIONAL INHIBITORS, HIRUTONIN-2 AND HIRUTONIN-6
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUTONIN-6
Authors:Zdanov, A, Cygler, M.
Deposit date:1993-08-04
Release date:1994-01-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the complex of human alpha-thrombin and nonhydrolyzable bifunctional inhibitors, hirutonin-2 and hirutonin-6.
Proteins, 17, 1993
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
Descriptor: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

7JQC
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BU of 7jqc by Molmil
SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
Authors:Yuan, S, Xiong, Y.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
6LKA
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BU of 6lka by Molmil
Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds
Descriptor: 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H.
Deposit date:2019-12-18
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent.
Bioorg.Med.Chem., 28, 2020
7JQB
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BU of 7jqb by Molmil
SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
Authors:Yuan, S, Xiong, Y.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
7BR2
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BU of 7br2 by Molmil
BT4096 a gut microbial diltiazem-metabolizing enzyme
Descriptor: Lipolytic enzyme, G-D-S-L family
Authors:Ko, T.-P, Chen, C.-C, Guo, R.-T.
Deposit date:2020-03-26
Release date:2020-05-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.
Biochem.Biophys.Res.Commun., 527, 2020
1AF0
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BU of 1af0 by Molmil
SERRATIA PROTEASE IN COMPLEX WITH INHIBITOR
Descriptor: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide, SERRATIA PROTEASE, ...
Authors:Baumann, U.
Deposit date:1997-03-20
Release date:1998-03-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the 50 kDa Metallo Protease from S. Marcescens in Complex with the Synthetic Inhibitor Cbz-Leu-Ala-Nhoh
To be Published
8IOY
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BU of 8ioy by Molmil
Structure of ATP7B C983S/C985S/D1027A mutant with AMP-PNP
Descriptor: Copper-transporting ATPase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Yang, G, Xu, L, Guo, J, Wu, Z.
Deposit date:2023-03-13
Release date:2023-04-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures of the human Wilson disease copper transporter ATP7B.
Cell Rep, 42, 2023
4HBN
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BU of 4hbn by Molmil
Crystal structure of the human HCN4 channel C-terminus carrying the S672R mutation
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Authors:Xu, X, Marni, F, Wu, X, Su, Z, Musayev, F, Shrestha, S, Xie, C, Gao, W, Liu, Q, Zhou, L.
Deposit date:2012-09-28
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Local and Global Interpretations of a Disease-Causing Mutation near the Ligand Entry Path in Hyperpolarization-Activated cAMP-Gated Channel.
Structure, 20, 2012
4WTR
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BU of 4wtr by Molmil
Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaribiose
Descriptor: beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
4WTP
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BU of 4wtp by Molmil
Crystal structure of glycoside hydrolase family 17 beta-1,3-glucanosyltransferase from Rhizomucor miehei
Descriptor: 1,2-ETHANEDIOL, beta-1,3-glucanosyltransferase
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
4WTS
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BU of 4wts by Molmil
Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaritriose
Descriptor: beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
6U0D
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BU of 6u0d by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590
Descriptor: Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
Authors:Leonard, P.G, Joseph, S.
Deposit date:2019-08-14
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site
J. Med. Chem., 2022
6SCT
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BU of 6sct by Molmil
Cryo-EM structure of the consensus triskelion hub of the clathrin coat complex
Descriptor: Clathrin heavy chain, Clathrin light chain
Authors:Morris, K.L, Cameron, A.D, Sessions, R, Smith, C.J.
Deposit date:2019-07-25
Release date:2019-10-02
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.69 Å)
Cite:Cryo-EM of multiple cage architectures reveals a universal mode of clathrin self-assembly.
Nat.Struct.Mol.Biol., 26, 2019
8GU7
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BU of 8gu7 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
Descriptor: Beclin 1-associated autophagy-related key regulator, Beclin-2
Authors:Qiu, X, Zhao, Y.
Deposit date:2022-09-11
Release date:2023-07-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
8GT9
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BU of 8gt9 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
Descriptor: Beclin-2
Authors:Qiu, X, Zhao, Y.
Deposit date:2022-09-07
Release date:2023-07-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024

224004

数据于2024-08-21公开中

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