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6UPV
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BU of 6upv by Molmil
Alpha-E-catenin ABD-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Mei, L, Alushin, G.M.
Deposit date:2019-10-18
Release date:2020-09-30
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular mechanism for direct actin force-sensing by alpha-catenin.
Elife, 9, 2020
6UPW
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BU of 6upw by Molmil
Metavinculin ABD-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Mei, L, Alushin, G.M.
Deposit date:2019-10-18
Release date:2020-09-30
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism for direct actin force-sensing by alpha-catenin.
Elife, 9, 2020
6L5Z
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BU of 6l5z by Molmil
Crystal strucutre of AF9 YEATS domain in complex with a cyclopeptide inhibitor
Descriptor: Protein AF-9, SC0-ALO-ALA-SC3-SC4-NH2
Authors:Li, Y, Chen, G, Li, H.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Selective Targeting of AF9 YEATS Domain by Cyclopeptide Inhibitors with Preorganized Conformation.
J.Am.Chem.Soc., 142, 2020
6LJM
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BU of 6ljm by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P13
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-SER-LEU-GLY-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6L4Z
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BU of 6l4z by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 6
Descriptor: 4-(hydroxymethyl)benzoic acid, Genome polyprotein
Authors:Quek, J.P.
Deposit date:2019-10-21
Release date:2020-07-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
6LJN
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BU of 6ljn by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P15
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-HIS-PHE-SER-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6L50
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BU of 6l50 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 16
Descriptor: 2-sulfanylidene-1,3-thiazolidin-4-one, NS3 protease, Serine protease subunit NS2B
Authors:Quek, J.P.
Deposit date:2019-10-21
Release date:2020-07-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
6LJK
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BU of 6ljk by Molmil
Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF
Descriptor: BE2-SER-ALA-ILE-LYS-SER-NIY-GLY-SET, GLUTARIC ACID, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.394 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
7U2L
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BU of 7u2l by Molmil
C5guano-uOR-Gi-scFv16
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, H, Qu, Q, Skiniotis, G, Kobilka, B.
Deposit date:2022-02-24
Release date:2022-05-04
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
7U2K
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BU of 7u2k by Molmil
C6-guano bound Mu Opioid Receptor-Gi Protein Complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, H, Kobilka, B.
Deposit date:2022-02-24
Release date:2022-12-07
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
3LM5
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BU of 3lm5 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B
Authors:Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
7TW3
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BU of 7tw3 by Molmil
Cryo-EM structure of human ankyrin complex (B2P1A1) from red blood cell
Descriptor: Ankyrin-1, Band 3 anion transport protein, Protein 4.2
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TVZ
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BU of 7tvz by Molmil
Cryo-EM structure of human band 3-protein 4.2 complex in diagonal conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ...
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW2
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BU of 7tw2 by Molmil
Cryo-EM structure of human band 3 dimer from red blood cell
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW0
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BU of 7tw0 by Molmil
Cryo-EM structure of human band 3-protein 4.2 complex in vertical conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, Protein 4.2
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW1
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BU of 7tw1 by Molmil
Cryo-EM structure of human band 3-protein 4.2 complex (B2P2vertical)
Descriptor: Band 3 anion transport protein, Protein 4.2
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW5
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BU of 7tw5 by Molmil
Cryo-EM structure of human ankyrin complex (B2P1A2) from red blood cell
Descriptor: Ankyrin-1, Band 3 anion transport protein, Protein 4.2
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
7TW6
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BU of 7tw6 by Molmil
Cryo-EM structure of human ankyrin complex (B4P1A1) from red blood cell
Descriptor: Ankyrin-1, Band 3 anion transport protein, Protein 4.2
Authors:Xia, X, Liu, S.H, Zhou, Z.H.
Deposit date:2022-02-06
Release date:2022-06-08
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Structure, dynamics and assembly of the ankyrin complex on human red blood cell membrane.
Nat.Struct.Mol.Biol., 29, 2022
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2020-02-07
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
7E3O
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BU of 7e3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617
Descriptor: Spike protein S1, nCoV617 Heigh Chain, nCoV617 Light Chain
Authors:Chen, S.D, Yang, M.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain.
Microbiol Spectr, 9, 2021
4J51
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BU of 4j51 by Molmil
Cyrstal structure of protein tyrosine phosphatase Lyp catalytic domain complex with small molecular inhibitor L75N04
Descriptor: 3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 22
Authors:Liu, D, He, Y, Zhang, Z.-Y.
Deposit date:2013-02-07
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Potent and Selective Small-Molecule Inhibitor for the Lymphoid-Specific Tyrosine Phosphatase (LYP), a Target Associated with Autoimmune Diseases.
J.Med.Chem., 56, 2013
4B4A
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BU of 4b4a by Molmil
Structure of the TatC core of the twin arginine protein translocation system
Descriptor: Lauryl Maltose Neopentyl Glycol, SEC-INDEPENDENT PROTEIN TRANSLOCASE PROTEIN TATC
Authors:Rollauer, S.E, Tarry, M.J, Jaaskelainen, M, Graham, J.E, Jaeger, F, Krehenbrink, M, Roversi, P, McDowell, M.A, Stansfeld, P.J, Johnson, S, Liu, S.M, Lukey, M.J, Marcoux, J, Robinson, C.V, Sansom, M.S, Palmer, T, Hogbom, M, Berks, B.C, Lea, S.M.
Deposit date:2012-07-30
Release date:2012-12-05
Last modified:2012-12-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the Tatc Core of the Twin-Arginine Protein Transport System.
Nature, 49, 2012
4G8B
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BU of 4g8b by Molmil
Crystal structures of N-acyl homoserine lactonase AidH S102G mutant complexed with N-hexanoyl homoserine lactone
Descriptor: Alpha/beta hydrolase fold protein, N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G9E
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BU of 4g9e by Molmil
Crystal structures of N-acyl homoserine lactonase AidH complexed with N-butanoyl homoserine
Descriptor: Alpha/beta hydrolase fold protein, N-butanoyl-L-homoserine
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.088 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4GA7
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BU of 4ga7 by Molmil
Crystal structure of human serpinB1 mutant
Descriptor: Leukocyte elastase inhibitor
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013

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