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8JV6
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BU of 8jv6 by Molmil
Cryo-EM structure of the zebrafish P2X4 receptor in complex with BAY-1797
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-ethanamide, P2X purinoceptor
Authors:Hattori, M, Shen, C.
Deposit date:2023-06-27
Release date:2023-10-18
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structural insights into the allosteric inhibition of P2X4 receptors.
Nat Commun, 14, 2023
5D39
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BU of 5d39 by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-08-06
Release date:2016-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
6Z43
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BU of 6z43 by Molmil
Cryo-EM Structure of SARS-CoV-2 Spike : H11-D4 Nanobody Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ...
Authors:Ruza, R.R, Duyvesteyn, H.M.E, Shah, P, Carrique, L, Ren, J, Malinauskas, T, Zhou, D, Stuart, D.I, Naismith, J.H.
Deposit date:2020-05-22
Release date:2020-06-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for a potent neutralising single-domain antibody that blocks SARS-CoV-2 binding to its receptor ACE2
To Be Published
6ZH9
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BU of 6zh9 by Molmil
Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2)
Descriptor: CR3022 Light chain, CR3022 heavy, Nanobody H11-H4, ...
Authors:Naismith, J.H, Mikolajek, H, Le Bas, A.
Deposit date:2020-06-21
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2.
Nat.Struct.Mol.Biol., 27, 2020
6KHP
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BU of 6khp by Molmil
Crystal structure of Oryza sativa TDC with PLP and tryptamine
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, ACETATE ION, CALCIUM ION, ...
Authors:Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X.
Deposit date:2019-07-16
Release date:2020-07-15
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
1J4J
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BU of 1j4j by Molmil
Crystal Structure of Tabtoxin Resistance Protein (form II) complexed with an Acyl Coenzyme A
Descriptor: ACETYL COENZYME *A, TABTOXIN RESISTANCE PROTEIN
Authors:He, H, Ding, Y, Bartlam, M, Zhang, R, Duke, N, Joachimiak, A, Shao, Y, Cao, Z, Tang, H, Liu, Y, Jiang, F, Liu, J, Zhao, N, Rao, Z.
Deposit date:2001-10-02
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A reveals the mechanism for beta-lactam acetylation.
J.Mol.Biol., 325, 2003
3ULS
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BU of 3uls by Molmil
Crystal structure of Fab12
Descriptor: Fab12 heavy chain, Fab12 light chain
Authors:Luo, J, Gilliland, G.L, Obmolova, O, Malia, T, Teplyakov, A.
Deposit date:2011-11-11
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Lateral Clustering of TLR3:dsRNA Signaling Units Revealed by TLR3ecd:3Fabs Quaternary Structure.
J.Mol.Biol., 421, 2012
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
Descriptor: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-07-21
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5KYA
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BU of 5kya by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
Descriptor: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-07-21
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
4Y5U
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BU of 4y5u by Molmil
Transcription factor
Descriptor: NICKEL (II) ION, Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-02-12
Release date:2016-02-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y5W
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BU of 4y5w by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-02-12
Release date:2016-02-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
4FI9
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BU of 4fi9 by Molmil
Structure of human SUN-KASH complex
Descriptor: Nesprin-2, SUN domain-containing protein 2
Authors:Wang, W.J, Shi, Z.B.
Deposit date:2012-06-08
Release date:2012-07-18
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural insights into SUN-KASH complexes across the nuclear envelope.
Cell Res., 22, 2012
1EEO
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BU of 1eeo by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH ACETYL-E-L-E-F-PTYR-M-D-Y-E-NH2
Descriptor: ACETYL-E-L-E-F-PTYR-M-D-Y-E-NH2 PEPTIDE, MAGNESIUM ION, PROTEIN TYROSINE PHOSPHATASE 1B
Authors:Sarmiento, M, Puius, Y.A, Vetter, S.W, Lawrence, D.S, Almo, S.C, Zhang, Z.Y.
Deposit date:2000-02-01
Release date:2001-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of plasticity in protein tyrosine phosphatase 1B substrate recognition.
Biochemistry, 39, 2000
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
Descriptor: BA7054 fab, BA7125 fab, Spike glycoprotein
Authors:Liu, Z, Liu, S.
Deposit date:2022-03-26
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ...
Authors:Liu, Z, Lui, S, Gao, Y.
Deposit date:2022-03-27
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDA
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BU of 7xda by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement)
Descriptor: BA7125 fab, BA7208 fab, Spike glycoprotein
Authors:Liu, Z, Liu, S, Liu, S.
Deposit date:2022-03-26
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDB
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BU of 7xdb by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ...
Authors:Liu, Z, Liu, S, Gao, Y.Z.
Deposit date:2022-03-26
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDL
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BU of 7xdl by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7125 fab, ...
Authors:Liu, Z, Liu, S, Yuanzhu, G.
Deposit date:2022-03-27
Release date:2023-03-15
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
6YZ7
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BU of 6yz7 by Molmil
H11-D4, SARS-CoV-2 RBD, CR3022 ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Cr3022, Antibody light chain, ...
Authors:Naismith, J.H, Ren, J, Zhou, D, Zhao, Y, Stuart, D.I.
Deposit date:2020-05-06
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural characterisation of a nanobody derived from a naive library that neutralises SARS-CoV-2
To Be Published, 2020
7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
Descriptor: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
Authors:Zhou, X.
Deposit date:2022-07-01
Release date:2023-05-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
8XES
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BU of 8xes by Molmil
The structure of HLA-A/L1-1
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Major capsid protein L1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-12
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XKC
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BU of 8xkc by Molmil
The structure of HLA-A/Pep16
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Spike protein S1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XKE
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BU of 8xke by Molmil
The structure of HLA-A/14-3-D
Descriptor: Beta-2-microglobulin, GLU-VAL-ASP-ASN-ALA-THR-ARG-PHE-ALA-SER-VAL-TYR, HLA class I heavy chain
Authors:Zhang, J.N, Yue, C, Liu, J, Sun, Z.Y.
Deposit date:2023-12-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
7XYT
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BU of 7xyt by Molmil
Crystal structure of ZER1 bound to AFLH degron
Descriptor: Protein zer-1 homolog
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-06-02
Release date:2022-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:CRL2 ZER1/ZYG11B recognizes small N-terminal residues for degradation.
Nat Commun, 13, 2022
8XFZ
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BU of 8xfz by Molmil
The structure of HLA-A/L1-2
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Major capsid protein L1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-14
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024

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