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7YZ6
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BU of 7yz6 by Molmil
Molecular snapshots of drug release from tubulin: Dark (steady state)
Descriptor: Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ3
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BU of 7yz3 by Molmil
Molecular snapshots of drug release from tubulin: Apo state
Descriptor: CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ1
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BU of 7yz1 by Molmil
Molecular snapshots of drug release from tubulin: 1 millisecond after photoactivation.
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYY
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BU of 7yyy by Molmil
Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
6RYP
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BU of 6ryp by Molmil
Bacterial membrane enzyme structure by the in meso method at 2.3 A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Lipoprotein signal peptidase, ...
Authors:Huang, C.Y, Olatunji, S, Bailey, J, Yu, X, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2019-06-11
Release date:2020-01-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of lipoprotein signal peptidase II from Staphylococcus aureus complexed with antibiotics globomycin and myxovirescin.
Nat Commun, 11, 2020
6K2N
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BU of 6k2n by Molmil
Structural basis of glycan recognition in globally predominant human P[8] rotavirus
Descriptor: Outer capsid protein VP4, beta-D-galactopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Duan, Z, Sun, Z.
Deposit date:2019-05-15
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Glycan Recognition in Globally Predominant Human P[8] Rotavirus.
Virol Sin, 35, 2020
3BYZ
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BU of 3byz by Molmil
2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors
Descriptor: (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2008-01-16
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice.
J.Med.Chem., 51, 2008
6KBW
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BU of 6kbw by Molmil
Crystal structure of Tmm from Myroides profundi D25
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethylamine monooxygenase
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2019-06-26
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.686 Å)
Cite:Oxidation of trimethylamine to trimethylamine N-oxide facilitates high hydrostatic pressure tolerance in a generalist bacterial lineage.
Sci Adv, 7, 2021
8SPH
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BU of 8sph by Molmil
Crystal structure of chimeric omicron RBD (strain XBB.1) complexed with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, W, Shi, K, Aihara, H, Li, F.
Deposit date:2023-05-03
Release date:2023-08-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
8SPI
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BU of 8spi by Molmil
Crystal structure of chimeric omicron RBD (strain XBB.1.5) complexed with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, W, Shi, K, Aihara, H, Li, F.
Deposit date:2023-05-03
Release date:2023-08-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
7KSO
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BU of 7kso by Molmil
Cryo-EM structure of PRC2:EZH1-AEBP2-JARID2
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ...
Authors:Grau, D.J, Armache, K.J.
Deposit date:2020-11-23
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
7KSR
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BU of 7ksr by Molmil
PRC2:EZH1_A from a dimeric PRC2 bound to a nucleosome
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ...
Authors:Grau, D.J, Armache, K.J.
Deposit date:2020-11-24
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
7KTP
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BU of 7ktp by Molmil
PRC2:EZH1_B from a dimeric PRC2 bound to a nucleosome
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ...
Authors:Grau, D.J, Armache, K.J.
Deposit date:2020-11-24
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
9ERY
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BU of 9ery by Molmil
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
Descriptor: 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1, SULFATE ION
Authors:Plewka, J, Magiera-Mularz, K, Zhang, W.
Deposit date:2024-03-25
Release date:2024-07-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-l1 inhibitors.
Eur.J.Med.Chem., 276, 2024
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
Descriptor: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2007-09-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
8TXT
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BU of 8txt by Molmil
Crystal structure of 05.GC.w13.02 Fab in complex with H5 HA from A/Viet Nam/1203/2004(H5N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GC_W13B_B, ...
Authors:Lin, T.H, Moore, N, Wilson, I.A.
Deposit date:2023-08-24
Release date:2024-06-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
7RQF
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BU of 7rqf by Molmil
Crystal Structure of LbcA (lipoprotein binding partner of CtpA) of Pseudomonas aeruginosa
Descriptor: TPR repeat-containing protein PA4667
Authors:Hsu, H.C, Li, H.
Deposit date:2021-08-06
Release date:2022-04-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Pseudomonas aeruginosa C-Terminal Processing Protease CtpA Assembles into a Hexameric Structure That Requires Activation by a Spiral-Shaped Lipoprotein-Binding Partner.
Mbio, 13, 2022
7RQH
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BU of 7rqh by Molmil
Crystal Structure of carboxyl-terminal processing protease A mutant S302A, CtpA_S302A, of Pseudomonas aeruginosa
Descriptor: Probable carboxyl-terminal protease
Authors:Hsu, H.C, Li, H.
Deposit date:2021-08-06
Release date:2022-04-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Pseudomonas aeruginosa C-Terminal Processing Protease CtpA Assembles into a Hexameric Structure That Requires Activation by a Spiral-Shaped Lipoprotein-Binding Partner.
Mbio, 13, 2022
7RPQ
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BU of 7rpq by Molmil
Crystal Structure of carboxyl-terminal processing protease A, CtpA, of Pseudomonas aeruginosa
Descriptor: Probable carboxyl-terminal protease
Authors:Hsu, H.C, Li, H.
Deposit date:2021-08-04
Release date:2022-04-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Pseudomonas aeruginosa C-Terminal Processing Protease CtpA Assembles into a Hexameric Structure That Requires Activation by a Spiral-Shaped Lipoprotein-Binding Partner.
Mbio, 13, 2022
8DNN
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BU of 8dnn by Molmil
Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ...
Authors:Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2022-07-11
Release date:2023-05-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo.
Sci Transl Med, 15, 2023
8H8C
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BU of 8h8c by Molmil
Type VI secretion system effector RhsP in its post-autoproteolysis and dimeric form
Descriptor: C-terminal peptide from Putative Rhs-family protein, Putative Rhs-family protein
Authors:Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H.
Deposit date:2022-10-22
Release date:2023-01-18
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP.
Cell Rep, 41, 2022
8H8B
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BU of 8h8b by Molmil
Type VI secretion system effector RhsP in its pre-autoproteolysis and monomeric form
Descriptor: Putative Rhs-family protein
Authors:Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H.
Deposit date:2022-10-22
Release date:2023-01-18
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP.
Cell Rep, 41, 2022
8H8A
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BU of 8h8a by Molmil
Type VI secretion system effector RhsP in its post-autoproteolysis and monomeric form
Descriptor: C-terminal peptide from Putative Rhs-family protein, Putative Rhs-family protein
Authors:Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H.
Deposit date:2022-10-22
Release date:2023-01-18
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP.
Cell Rep, 41, 2022
7XOE
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BU of 7xoe by Molmil
Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide
Authors:Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
Deposit date:2022-05-01
Release date:2024-02-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
7XOG
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BU of 7xog by Molmil
Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide, ...
Authors:Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
Deposit date:2022-05-01
Release date:2024-03-20
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023

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数据于2025-07-09公开中

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