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8XVH
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BU of 8xvh by Molmil
Cryo-EM structure of ETBR bound with Endothelin1
Descriptor: Endothelin-1, Exo-alpha-sialidase,Endothelin receptor type B, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T.
Deposit date:2024-01-15
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
8ECM
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BU of 8ecm by Molmil
Crystal Structure Analysis of Acetyl-CoA acetyltransferase from Firmicutes bacterium
Descriptor: Acetyl-CoA acetyltransferase
Authors:Seo, H.S, Dhe-Paganon, S.
Deposit date:2022-09-02
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Gut microbial metabolism of 5-ASA diminishes its clinical efficacy in inflammatory bowel disease.
Nat Med, 29, 2023
6W35
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BU of 6w35 by Molmil
A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
Authors:Cuozzo, J.W.
Deposit date:2020-03-09
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020
8EGI
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BU of 8egi by Molmil
X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-09-12
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease.
Molecules, 27, 2022
5ZBS
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BU of 5zbs by Molmil
Crystal Structure of Kinesin-3 KIF13B motor Y73C mutant
Descriptor: Kinesin family member 13B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Ren, J.Q, Wang, S, Feng, W.
Deposit date:2018-02-12
Release date:2018-05-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Structural Delineation of the Neck Linker of Kinesin-3 for Processive Movement.
J. Mol. Biol., 430, 2018
6WW4
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BU of 6ww4 by Molmil
Crystal structure of HERC2 ZZ domain in complex with histone H3 tail
Descriptor: GLYCEROL, Histone H3.1,E3 ubiquitin-protein ligase HERC2, ZINC ION
Authors:Liu, J, Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-07
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
5YZ2
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BU of 5yz2 by Molmil
the cystathionine-beta-synthase (CBS) domain of magnesium and cobalt efflux protein CorC in complex with both C2'- and C3'-endo AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Magnesium and cobalt efflux protein CorC
Authors:Feng, N, Qi, C, Li, D.F, Wang, D.C.
Deposit date:2017-12-12
Release date:2018-05-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The C2'- and C3'-endo equilibrium for AMP molecules bound in the cystathionine-beta-synthase domain.
Biochem. Biophys. Res. Commun., 497, 2018
5ZBR
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BU of 5zbr by Molmil
Crystal Structure of Kinesin-3 KIF13B motor domain in AMPPNP form
Descriptor: Kinesin family member 13B, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Ren, J.Q, Wang, S, Feng, W.
Deposit date:2018-02-12
Release date:2018-05-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Delineation of the Neck Linker of Kinesin-3 for Processive Movement.
J. Mol. Biol., 430, 2018
6W3H
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BU of 6w3h by Molmil
Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATV Fc, Transferrin receptor protein 1,Transferrin receptor protein 1
Authors:Srivastava, A, Kariolis, M, Wells, R.
Deposit date:2020-03-09
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys.
Sci Transl Med, 12, 2020
8I9C
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BU of 8i9c by Molmil
S-ECD (Omicron BF.7) in complex with PD of ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
Deposit date:2023-02-06
Release date:2024-02-07
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Cryo-EM structures of SARS-CoV-2 BA.2-derived subvariants spike in complex with ACE2 receptor.
Cell Discov, 9, 2023
8I9D
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BU of 8i9d by Molmil
S-ECD (Omicron XBB.1) in complex with PD of ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
Deposit date:2023-02-06
Release date:2024-02-07
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Cryo-EM structures of SARS-CoV-2 BA.2-derived subvariants spike in complex with ACE2 receptor.
Cell Discov, 9, 2023
8I9E
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BU of 8i9e by Molmil
S-RBD(Omicron BA.3) in complex with PD of ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
Deposit date:2023-02-06
Release date:2024-02-07
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural Basis for the Enhanced Infectivity and Immune Evasion of Omicron Subvariants.
Viruses, 15, 2023
6WIZ
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BU of 6wiz by Molmil
Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2020-04-11
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
6WJ0
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BU of 6wj0 by Molmil
Crystal structure of Fab 54-4H03
Descriptor: Fab 54-4H03 heavy chain, Fab 54-4H03 light chain, GLYCEROL
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2020-04-11
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
6WJ1
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BU of 6wj1 by Molmil
Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-4H03 heavy chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2020-04-11
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
8COH
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BU of 8coh by Molmil
Structure of the complement C5 specific nanobody TPP-3444
Descriptor: CITRIC ACID, MANGANESE (II) ION, Nanobody TPP-3444
Authors:Pedersen, D.V, Andersen, G.R.
Deposit date:2023-02-28
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration.
Mol.Immunol., 165, 2023
8COE
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BU of 8coe by Molmil
complement C5 in complex with the LCP0195 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, Complement C5 beta chain, ...
Authors:Andersen, G.R, Pedersen, D.V.
Deposit date:2023-02-28
Release date:2024-01-03
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration.
Mol.Immunol., 165, 2023
7C8D
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BU of 7c8d by Molmil
Cryo-EM structure of cat ACE2 and SARS-CoV-2 RBD
Descriptor: Angiotensin-converting enzyme 2, Spike protein S1, ZINC ION
Authors:Gao, G.F, Wang, Q.H, Wu, L.l.
Deposit date:2020-05-29
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Broad host range of SARS-CoV-2 and the molecular basis for SARS-CoV-2 binding to cat ACE2.
Cell Discov, 6, 2020
5Z55
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BU of 5z55 by Molmil
NMR Solution Structure of the Kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (ROR1)
Descriptor: Inactive tyrosine-protein kinase transmembrane receptor ROR1
Authors:Ma, X, Hu, K.F.
Deposit date:2018-01-17
Release date:2018-05-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Backbone and side-chain chemical shift assignments of the kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (ROR1).
Biomol NMR Assign, 12, 2018
6WW3
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BU of 6ww3 by Molmil
Crystal structure of HERC2 ZZ domain in complex with SUMO1 tail
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SUMO1 linked HERC2 ZZ domain (Small ubiquitin-related modifier 1,E3 ubiquitin-protein ligase HERC2), ...
Authors:Liu, J, Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-07
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
6WIY
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BU of 6wiy by Molmil
Crystal structure of Fab 54-1G05
Descriptor: Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, GLYCEROL
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2020-04-11
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
7EKC
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BU of 7ekc by Molmil
Structure of SARS-CoV-2 Gamma variant spike receptor-binding domain complexed with human ACE2
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:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKG
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BU of 7ekg by Molmil
Structure of SARS-CoV-2 Beta variant spike receptor-binding domain complexed with human ACE2
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:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKH
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BU of 7ekh by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain Y453F mutation complexed with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKF
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BU of 7ekf by Molmil
Structure of SARS-CoV-2 Alpha variant spike receptor-binding domain complexed with human ACE2
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:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021

224201

數據於2024-08-28公開中

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