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8YFL
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BU of 8yfl by Molmil
crystal structure of FIP200 claw/TNIP1_FIR_pS122pS123
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, RB1-inducible coiled-coil protein 1, ...
Authors:Lv, M.Q, Wu, S.M.
Deposit date:2024-02-24
Release date:2024-08-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for TNIP1 binding to FIP200 during mitophagy.
J.Biol.Chem., 300, 2024
8YFM
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BU of 8yfm by Molmil
Crystal structure of FIP200 claw/TNIP1_FIR_pS122
Descriptor: GLYCEROL, RB1-inducible coiled-coil protein 1, SULFATE ION, ...
Authors:Lv, M.Q, Wu, S.M.
Deposit date:2024-02-24
Release date:2024-08-14
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for TNIP1 binding to FIP200 during mitophagy.
J.Biol.Chem., 300, 2024
8YFN
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BU of 8yfn by Molmil
Crystal structure of FIP200 claw in complex with TNIP1_FIR_pS123 peptide with an elongated C terminus
Descriptor: GLYCEROL, MAGNESIUM ION, RB1-inducible coiled-coil protein 1, ...
Authors:Lv, M.Q, Wu, S.M.
Deposit date:2024-02-24
Release date:2024-08-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for TNIP1 binding to FIP200 during mitophagy.
J.Biol.Chem., 300, 2024
7XG6
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BU of 7xg6 by Molmil
Crystal structure of an (R)-selective omega-transaminase mutant from Aspergillus terreus with covalently bound PLP
Descriptor: omega-transaminase
Authors:Xiang, C, Wu, S.K, Weber, G, Liu, W.D, Wei, R, Bornscheuer, U.T.
Deposit date:2022-04-03
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:A growth selection system for the directed evolution of amine-forming or converting enzymes.
Nat Commun, 13, 2022
7XG5
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BU of 7xg5 by Molmil
Crystal structure of an (R)-selective omega-transaminase mutant from Aspergillus terreus with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, omega-transaminase
Authors:Xiang, C, Wu, S.K, Weber, G, Liu, W.D, Wei, R, Bornscheuer, U.T.
Deposit date:2022-04-03
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A growth selection system for the directed evolution of amine-forming or converting enzymes.
Nat Commun, 13, 2022
6S50
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BU of 6s50 by Molmil
scdSav(SARK)mv2 - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
Descriptor: GLYCEROL, SULFATE ION, Streptavidin, ...
Authors:Rebelein, J.G.
Deposit date:2019-06-29
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
6S4Q
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BU of 6s4q by Molmil
scdSav(SASK) - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
Descriptor: GLYCEROL, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Rebelein, J.G.
Deposit date:2019-06-28
Release date:2019-09-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
5YR0
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BU of 5yr0 by Molmil
Structure of Beclin1-UVRAG coiled coil domain complex
Descriptor: Beclin-1, UV radiation resistance associated protein
Authors:Pan, X, Zhao, Y, He, Y.
Deposit date:2017-11-08
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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
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
7T86
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BU of 7t86 by Molmil
Crystal Structure of Fab CR5133 / Phospho-SD Peptide Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab CR5133 Heavy Chain, Antibody Fab CR5133 Light Chain, ...
Authors:Luo, J, Malia, T.J, Buckley, P.T.
Deposit date:2021-12-15
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multivalent human antibody-centyrin fusion protein to prevent and treat Staphylococcus aureus infections.
Cell Host Microbe, 31, 2023
7T82
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BU of 7t82 by Molmil
Crystal Structure of LEUKOCIDIN E/CENTYRIN S26/FAB B438
Descriptor: Antibody Fab Heavy Chain, Antibody Fab Light Chain, Centyrin S26, ...
Authors:Luo, J, Malia, T.J, Buckley, P.T.
Deposit date:2021-12-15
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Multivalent human antibody-centyrin fusion protein to prevent and treat Staphylococcus aureus infections.
Cell Host Microbe, 31, 2023
7T87
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BU of 7t87 by Molmil
CRYSTAL STRUCTURE OF LEUKOCIDIN AB/CENTYRIN S17/FAB 214F COMPLEX
Descriptor: Antibody Fab B214 Heavy Chain, Antibody Fab B214 Light Chain, Centyrin S17, ...
Authors:Luo, J, Malia, T.J, Buckley, P.T.
Deposit date:2021-12-15
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Multivalent human antibody-centyrin fusion protein to prevent and treat Staphylococcus aureus infections.
Cell Host Microbe, 31, 2023
1QB1
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BU of 1qb1 by Molmil
Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)
Descriptor: 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-28
Release date:2000-04-29
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
6UBT
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BU of 6ubt by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly-bound desensitized conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1
Authors:Kumar, A, Basak, S, Chakrapani, S.
Deposit date:2019-09-12
Release date:2020-07-29
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
6UD3
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BU of 6ud3 by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly/PTX-bound open/blocked conformation
Descriptor: (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Kumar, A, Basak, S, Chakrapani, S.
Deposit date:2019-09-18
Release date:2020-07-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
7XXB
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BU of 7xxb by Molmil
IAA bound state of AtPIN3
Descriptor: 1H-INDOL-3-YLACETIC ACID, Auxin efflux carrier component 3
Authors:Su, N.
Deposit date:2022-05-29
Release date:2022-08-10
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022
8YE4
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BU of 8ye4 by Molmil
The complex of TCR NYN-I and HLA-A24 bound to SARS-CoV-2 Spike448-456 peptide NYNYLYRLF
Descriptor: Beta-2-microglobulin, MHC class I antigen precusor, Spike protein S1, ...
Authors:Deng, S.S, Jin, T.C, Xu, Z.H, Wang, M.H.
Deposit date:2024-02-21
Release date:2024-08-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into immune escape at killer T cell epitope by SARS-CoV-2 Spike Y453F variants.
J.Biol.Chem., 300, 2024
8ZV9
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BU of 8zv9 by Molmil
Complex structure of HLA2402 with recognizing SARS-CoV-2 Y453F epitope NYNYLFRLF
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Deng, S.S, Jin, T.C, Xu, Z.H, Wang, M.H.
Deposit date:2024-06-11
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into immune escape at killer T cell epitope by SARS-CoV-2 Spike Y453F variants.
J.Biol.Chem., 300, 2024
9JKQ
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BU of 9jkq by Molmil
Cryo-EM structure of the METH-bound hTAAR1-Gs complex
Descriptor: (2S)-N-methyl-1-phenylpropan-2-amine, 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, ...
Authors:Lin, Y, Wang, J, Shi, F.
Deposit date:2024-09-16
Release date:2024-10-16
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Molecular Mechanisms of Methamphetamine-Induced Addiction via TAAR1 Activation.
J.Med.Chem., 2024
3L15
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BU of 3l15 by Molmil
Human Tead2 transcriptional factor
Descriptor: GLYCEROL, Transcriptional enhancer factor TEF-4
Authors:Tomchick, D.R, Luo, X, Tian, W.
Deposit date:2009-12-10
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the YAP-binding domain of human TEAD2.
Proc.Natl.Acad.Sci.USA, 107, 2010
7XUM
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BU of 7xum by Molmil
Structure of ATP7B C983S/C985S/D1027A mutant with Cu+ in presence of ATOX1
Descriptor: COPPER (II) ION, Copper-transporting ATPase 2
Authors:Yang, G, Xu, L, Chang, S, Guo, J, Wu, Z.
Deposit date:2022-05-19
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of the human Wilson disease copper transporter ATP7B.
Cell Rep, 42, 2023
7XUO
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BU of 7xuo by Molmil
Structure of ATP7B C983S/C985S/D1027A mutant with cisplatin in presence of ATOX1
Descriptor: Copper-transporting ATPase 2, PLATINUM (II) ION
Authors:Yang, G, Xu, L, Chang, S, Guo, J, Wu, Z.
Deposit date:2022-05-19
Release date:2023-04-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of the human Wilson disease copper transporter ATP7B.
Cell Rep, 42, 2023

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