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2ASS
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BU of 2ass by Molmil
Crystal structure of the Skp1-Skp2-Cks1 complex
Descriptor: BENZAMIDINE, Cyclin-dependent kinases regulatory subunit 1, PHOSPHATE ION, ...
Authors:Hao, B, Zhang, N, Schulman, B.A, Wu, G, Pagano, M, Pavletich, N.P.
Deposit date:2005-08-24
Release date:2005-10-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis of the Cks1-Dependent Recognition of p27(Kip1) by the SCF(Skp2) Ubiquitin Ligase.
Mol.Cell, 20, 2005
2AST
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BU of 2ast by Molmil
Crystal structure of Skp1-Skp2-Cks1 in complex with a p27 peptide
Descriptor: BENZAMIDINE, Cyclin-dependent kinase inhibitor 1B, Cyclin-dependent kinases regulatory subunit 1, ...
Authors:Hao, B, Zhang, N, Schulman, B.A, Wu, G, Pagano, M, Pavletich, N.P.
Deposit date:2005-08-24
Release date:2005-10-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Cks1-Dependent Recognition of p27(Kip1) by the SCF(Skp2) Ubiquitin Ligase.
Mol.Cell, 20, 2005
7E5Y
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BU of 7e5y by Molmil
Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD
Descriptor: 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1
Authors:Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M.
Deposit date:2021-02-21
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries.
Cell Discov, 7, 2021
7BFZ
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BU of 7bfz by Molmil
X-ray structure of human prostate-specific membrane antigen(PSMA) in complex with a inhibitor Glu-490
Descriptor: (((S)-1-carboxy-5-((E)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-L-glutamic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rakhimbekova, A, Motlova, L, Barinka, C.
Deposit date:2021-01-05
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging.
Nat Commun, 12, 2021
7EVS
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BU of 7evs by Molmil
Crystal structure of hnRNP LL RRM2 in complex with SETD2
Descriptor: Heterogeneous nuclear ribonucleoprotein L-like, SHI domain from Histone-lysine N-methyltransferase SETD2, SULFATE ION
Authors:Li, F.D, Wang, S.M.
Deposit date:2021-05-22
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of the interaction between SETD2 methyltransferase and hnRNP L paralogs for governing co-transcriptional splicing.
Nat Commun, 12, 2021
7EVR
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BU of 7evr by Molmil
Crystal structure of hnRNP L RRM2 in complex with SETD2
Descriptor: Heterogeneous nuclear ribonucleoprotein L, SHI domain from Histone-lysine N-methyltransferase SETD2
Authors:Li, F.D, Wang, S.M.
Deposit date:2021-05-22
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the interaction between SETD2 methyltransferase and hnRNP L paralogs for governing co-transcriptional splicing.
Nat Commun, 12, 2021
7CYV
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BU of 7cyv by Molmil
Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD)
Descriptor: Spike protein S1, The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, Y, Li, T, Lai, Y, Cai, H, Yao, H, Li, D.
Deposit date:2020-09-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Uncovering a conserved vulnerability site in SARS-CoV-2 by a human antibody.
Embo Mol Med, 13, 2021
7KBB
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BU of 7kbb by Molmil
Cryo-EM structure of the HCMV pentamer bound by Fabs 2-18 and 8I21
Descriptor: 2-18 Fab Heavy Chain, 2-18 Fab Light Chain, 8I21 Fab Heavy Chain, ...
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2020-10-01
Release date:2021-08-11
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (4.02 Å)
Cite:Structural basis for HCMV Pentamer recognition by neuropilin 2 and neutralizing antibodies.
Sci Adv, 8, 2022
7KBA
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BU of 7kba by Molmil
Crystal structure of the HCMV pentamer-specific Fab 2-18
Descriptor: 2-18 Fab Heavy Chain, 2-18 Fab Light Chain
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2020-10-01
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for HCMV Pentamer recognition by neuropilin 2 and neutralizing antibodies.
Sci Adv, 8, 2022
4L91
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BU of 4l91 by Molmil
Crystal structure of Human Hsp90 with X29
Descriptor: 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
4L94
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BU of 4l94 by Molmil
Crystal structure of Human Hsp90 with S46
Descriptor: (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
4L8Z
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BU of 4l8z by Molmil
Crystal structure of Human Hsp90 with RL1
Descriptor: Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
7YLE
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BU of 7yle by Molmil
RnDmpX in complex with DMSP
Descriptor: 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, Glycine betaine/proline ABC transporter, periplasmic glycinebetaine/proline-binding protein
Authors:Li, C.Y.
Deposit date:2022-07-26
Release date:2023-01-25
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Ubiquitous occurrence of a dimethylsulfoniopropionate ABC transporter in abundant marine bacteria.
Isme J, 17, 2023
7WPV
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BU of 7wpv by Molmil
Fab14 - a SARS-CoV2 RBD neutralising antibody
Descriptor: Fab14 heavy chain, Fab14 light chain
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-24
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-23
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
7C8V
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BU of 7c8v by Molmil
Structure of sybody SR4 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Li, T, Yao, H, Cai, H, Qin, W, Li, D.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7CAN
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BU of 7can by Molmil
Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Li, T, Yao, H, Cai, H, Qin, W, Li, D.
Deposit date:2020-06-09
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7C4D
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BU of 7c4d by Molmil
Marine microorganism esterase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Putative esterase, ...
Authors:Zhu, C.H, Wu, Y.K, Isupov, M.N.
Deposit date:2020-05-16
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Insights into a Novel Esterase from the East Pacific Rise and Its Improved Thermostability by a Semirational Design.
J.Agric.Food Chem., 69, 2021
7D3C
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BU of 7d3c by Molmil
The newly emerged SARS-like coronavirus HCoV-EMC also has an "Achilles' heel": current effective inhibitor targeting a 3C-like protease
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yan, L, Ren, Z.
Deposit date:2020-09-18
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The newly emerged SARS-like coronavirus HCoV-EMC also has an "Achilles' heel": current effective inhibitor targeting a 3C-like protease
Protein cell, 4, 2013
7DYN
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BU of 7dyn by Molmil
Phosphorylation of MHC I peptide
Descriptor: ARG-ARG-PHE-SEP-ARG-SEP-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen
Authors:Sun, M.W, Feng, L, Qi, J.X, Liu, W.J.
Deposit date:2021-01-22
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
7CIR
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BU of 7cir by Molmil
Peptide phosphorylation modification of MHC class I molecules
Descriptor: ARG-ARG-PHE-SEP-ARG-SER-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen
Authors:Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F.
Deposit date:2020-07-08
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
7CIS
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BU of 7cis by Molmil
Peptide modification of MHC class I molecules
Descriptor: ARG-ARG-PHE-SEP-ARG-SEP-PRO-ILE-ARG, Beta-2-microglobulin, MHC class I antigen
Authors:Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F.
Deposit date:2020-07-08
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022

221051

数据于2024-06-12公开中

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