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6K9N
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BU of 6k9n by Molmil
Rice_OTUB_like_catalytic domain
Descriptor: Ubiquitin thioesterase
Authors:Lu, L.N, Liu, L, Wang, F.
Deposit date:2019-06-17
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
7KMB
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BU of 7kmb by Molmil
ACE2-RBD Focused Refinement Using Symmetry Expansion of Applied C3 for Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 7.4
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:Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-11-02
Release date:2020-12-09
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
7KNH
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BU of 7knh by Molmil
Cryo-EM Structure of Double ACE2-Bound SARS-CoV-2 Trimer Spike at pH 5.5
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:Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
Deposit date:2020-11-04
Release date:2020-12-16
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
6KBE
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BU of 6kbe by Molmil
Structure of Deubiquitinase
Descriptor: Polyubiquitin-C, Ubiquitin thioesterase
Authors:Lu, L.N, Liu, L, Wang, F.
Deposit date:2019-06-24
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.339 Å)
Cite:Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
6JTU
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BU of 6jtu by Molmil
Crystal structure of MHETase from Ideonella sakaiensis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Sagong, H.-Y, Seo, H, Kim, K.-J.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Decomposition of PET film by MHETase using Exo-PETase function
Acs Catalysis, 10, 2020
2HH4
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BU of 2hh4 by Molmil
NMR structure of human insulin mutant GLY-B8-D-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures
Descriptor: insulin A chain, insulin B chain
Authors:Hua, Q.X, Nakagawa, S, Hu, S.Q, Jia, W, Weiss, M.A.
Deposit date:2006-06-27
Release date:2006-07-18
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Toward the Active Conformation of Insulin: Stereospecific modulation of a structural switch in the B chain.
J.Biol.Chem., 281, 2006
2HHO
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BU of 2hho by Molmil
NMR structure of human insulin mutant GLY-B8-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures
Descriptor: Insulin A chain, Insulin B chain
Authors:Hua, Q.X, Nakagawa, S, Hu, S.Q, Jia, W, Weiss, M.A.
Deposit date:2006-06-28
Release date:2006-07-18
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Toward the Active Conformation of Insulin: Stereospecific modulation of a structural switch in the B chain.
J.Biol.Chem., 281, 2006
4NOO
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BU of 4noo by Molmil
Molecular mechanism for self-protection against type VI secretion system in Vibrio cholerae
Descriptor: Putative uncharacterized protein, VgrG protein
Authors:Yang, X, Xu, M, Jiang, T, Fan, Z.
Deposit date:2013-11-20
Release date:2014-04-09
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanism for self-protection against the type VI secretion system in Vibrio cholerae.
Acta Crystallogr.,Sect.D, 70, 2014
6K9P
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BU of 6k9p by Molmil
Structure of Deubiquitinase
Descriptor: Ubiquitin, Ubiquitin thioesterase
Authors:Lu, L.N, Liu, L, Wang, F.
Deposit date:2019-06-17
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
6KMH
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BU of 6kmh by Molmil
The crystal structure of CASK/Mint1 complex
Descriptor: Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ...
Authors:Li, W, Feng, W.
Deposit date:2019-07-31
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
3AJ1
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BU of 3aj1 by Molmil
The structure of AxCeSD octamer (N-terminal HIS-tag) from Acetobacter xylinum
Descriptor: Cellulose synthase operon protein D
Authors:Hu, S.Q, Tajima, K, Zhou, Y, Tanaka, I, Yao, M.
Deposit date:2010-05-20
Release date:2010-10-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of bacterial cellulose synthase subunit D octamer with four inner passageways
Proc.Natl.Acad.Sci.USA, 107, 2010
3AJ2
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BU of 3aj2 by Molmil
The structure of AxCeSD octamer (C-terminal HIS-tag) from Acetobacter xylinum
Descriptor: Cellulose synthase operon protein D
Authors:Hu, S.Q, Tajima, K, Zhou, Y, Tanaka, I, Yao, M.
Deposit date:2010-05-20
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of bacterial cellulose synthase subunit D octamer with four inner passageways
Proc.Natl.Acad.Sci.USA, 107, 2010
3H7T
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BU of 3h7t by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-D1 (SMIPP-S-D1)
Descriptor: Group 3 allergen SMIPP-S YvT004A06, ZINC ION
Authors:Buckle, A.M.
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009
3H7O
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BU of 3h7o by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-I1 (SMIPP-S-I1)
Descriptor: GLYCEROL, Group 3 allergen SMIPP-S Yv6023A04, SULFATE ION
Authors:Buckle, A.M.
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009
6DPY
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BU of 6dpy by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
Descriptor: 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase
Authors:Singh, I.
Deposit date:2018-06-09
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
3QQU
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BU of 3qqu by Molmil
Cocrystal structure of unphosphorylated igf with pyrimidine 8
Descriptor: Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
Authors:Huang, X.
Deposit date:2011-02-16
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
8T87
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BU of 8t87 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, unbound dimer crystal form 1
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
8T88
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BU of 8t88 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
7PQ4
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BU of 7pq4 by Molmil
NMR Structure of RgpB C-terminal Domain
Descriptor: Arginine-specific cysteine proteinase (Arg-gingipain)
Authors:Dorgan, B.J, Curtis, M.A, Garnett, J.A.
Deposit date:2021-09-16
Release date:2022-09-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Model of a Porphyromonas gingivalis type IX Secretion System Shuttle Complex.
J.Mol.Biol., 434, 2022
3NEW
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BU of 3new by Molmil
p38-alpha complexed with Compound 10
Descriptor: 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14
Authors:Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D.
Deposit date:2010-06-09
Release date:2010-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
6IMM
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BU of 6imm by Molmil
Cryo-EM structure of an alphavirus, Sindbis virus
Descriptor: Assembly protein E3, Octadecane, Spike glycoprotein E1, ...
Authors:Zhang, X, Ma, J, Chen, L.
Deposit date:2018-10-23
Release date:2019-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Implication for alphavirus host-cell entry and assembly indicated by a 3.5 angstrom resolution cryo-EM structure.
Nat Commun, 9, 2018
6LFZ
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BU of 6lfz by Molmil
Crystal structure of SbCGTb in complex with UDPG
Descriptor: SbCGTb, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Gao, H.M, Yun, C.H.
Deposit date:2019-12-04
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.866 Å)
Cite:Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
3O17
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BU of 3o17 by Molmil
Crystal Structure of JNK1-alpha1 isoform
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
Authors:Abad-Zapatero, C.
Deposit date:2010-07-20
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of JNK1-alpha1 isoform
TO BE PUBLISHED
6LF6
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BU of 6lf6 by Molmil
Crystal structure of ZmCGTa in complex with UDP
Descriptor: UDP-glycosyltransferase 708A6, URIDINE-5'-DIPHOSPHATE
Authors:Gao, H.M, Yun, C.H.
Deposit date:2019-11-29
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
2N7H
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BU of 2n7h by Molmil
Hybrid structure of the Type 1 Pilus of Uropathogenic E.coli
Descriptor: FimA
Authors:Habenstein, B, Loquet, A, Giller, K, Vasa, S, Becker, S, Habeck, M, Lange, A.
Deposit date:2015-09-11
Release date:2015-09-23
Last modified:2015-10-14
Method:SOLID-STATE NMR
Cite:Hybrid Structure of the Type 1 Pilus of Uropathogenic Escherichia coli.
Angew.Chem.Int.Ed.Engl., 54, 2015

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