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7W9B
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BU of 7w9b by Molmil
SARS-CoV-2 Delta S-ACE2-C2b
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W9F
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BU of 7w9f by Molmil
SARS-CoV-2 Delta S-RBD-8D3
Descriptor: Spike protein S1, The heavy chain of 8D3, The light chain of 8D3
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W9I
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BU of 7w9i by Molmil
SARS-CoV-2 Delta S-RBD-ACE2
Descriptor: Angiotensin-converting enzyme 2, Spike protein S1
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
6PNN
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BU of 6pnn by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
5MFW
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BU of 5mfw by Molmil
Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-121 at 2.10 A resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ...
Authors:Larsen, A.P, Frydenvang, K, Kastrup, J.S.
Deposit date:2016-11-18
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors.
Mol. Pharmacol., 91, 2017
6JGY
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BU of 6jgy by Molmil
Crystal structure of LASV-GP2 in a post fusion conformation
Descriptor: Pre-glycoprotein polyprotein GP complex
Authors:Zhu, Y, Zhang, X, Chen, B, Ye, S, Zhang, R.
Deposit date:2019-02-15
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.389 Å)
Cite:Crystal Structure of Refolding Fusion Core of Lassa Virus GP2 and Design of Lassa Virus Fusion Inhibitors.
Front Microbiol, 10, 2019
6PNM
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BU of 6pnm by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(morpholinosulfonyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6P12
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BU of 6p12 by Molmil
Structure of spastin AAA domain (wild-type) in complex with diaminotriazole-based inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide, Drosophila melanogaster Spastin AAA domain, ...
Authors:Pisa, R, Cupido, T, Kapoor, T.M.
Deposit date:2019-05-17
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94131851 Å)
Cite:Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
8GP7
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BU of 8gp7 by Molmil
Structure of Trioxacarcin A covalently bound to RET G4-DNA
Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), Trioxacarcin A, bound form
Authors:Yin, S, Cao, C.
Deposit date:2022-08-25
Release date:2023-09-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Trioxacarcin A Interactions with G-Quadruplex DNA Reveal Its Potential New Targets as an Anticancer Agent.
J.Med.Chem., 66, 2023
8GJ9
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BU of 8gj9 by Molmil
RAD51C N-terminal domain
Descriptor: RAD51C, ZINC ION
Authors:Arvai, A.S, Tainer, J.A, Williams, G.
Deposit date:2023-03-15
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
8GJA
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BU of 8gja by Molmil
RAD51C-XRCC3 structure
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, RAD51C, ...
Authors:Arvai, A.S, Tainer, J.A, Williams, G, Longo, M.A.
Deposit date:2023-03-15
Release date:2023-08-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
6PR4
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BU of 6pr4 by Molmil
D262N/S128A S. typhimurium siroheme synthase
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
Authors:Pennington, J.M, Stroupe, M.E.
Deposit date:2019-07-10
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6PRZ
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BU of 6prz by Molmil
XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ...
Authors:Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6P63
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BU of 6p63 by Molmil
Wild-type NIS synthetase DesD bound to AMP and substrate analog cadaverine
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Hoffmann, K.M.
Deposit date:2019-05-31
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cofactor Complexes of DesD, a Model Enzyme in the Virulence-related NIS Synthetase Family.
Biochemistry, 59, 2020
6P7C
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BU of 6p7c by Molmil
D104A/S128A S. typhimurium siroheme synthase
Descriptor: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
Authors:Pennington, J.M, Stroupe, M.E.
Deposit date:2019-06-05
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6P14
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BU of 6p14 by Molmil
Structure of spastin AAA domain (T692A mutant) in complex with a diaminotriazole-based inhibitor (crystal form B)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide, ACETATE ION, ...
Authors:Pisa, R, Cupido, T, Kapoor, T.M.
Deposit date:2019-05-17
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93001127 Å)
Cite:Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
8GJ8
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BU of 8gj8 by Molmil
RAD51C C-terminal domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C
Authors:Arvai, A.S, Tainer, J.A, Williams, G.
Deposit date:2023-03-15
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
5MFQ
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BU of 5mfq by Molmil
Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-344 at 1.90 A resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, ...
Authors:Larsen, A.P, Frydenvang, K, Kastrup, J.S.
Deposit date:2016-11-18
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors.
Mol. Pharmacol., 91, 2017
8GL3
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BU of 8gl3 by Molmil
De novo design of monomeric helical bundles for pH-controlled membrane lysis
Descriptor: pRLB-519
Authors:Goldbach, N, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-03-20
Release date:2023-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of monomeric helical bundles for pH-controlled membrane lysis.
Protein Sci., 32, 2023
6P5C
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BU of 6p5c by Molmil
Bacillus Fragment DNA polymerase mutant I716M
Descriptor: DNA (5'-D(*CP*GP*AP*TP*CP*AP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*TP*GP*AP*TP*CP*G)-3'), DNA polymerase I, ...
Authors:Wu, E.Y.
Deposit date:2019-05-30
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The importance of Ile716 toward the mutagenicity of 8-Oxo-2'-deoxyguanosine with Bacillus fragment DNA polymerase.
DNA Repair (Amst.), 89, 2020
6P7D
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BU of 6p7d by Molmil
D104N S. typhimurium siroheme synthase
Descriptor: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
Authors:Pennington, J.M, Stroupe, M.E.
Deposit date:2019-06-05
Release date:2020-02-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6PPG
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BU of 6ppg by Molmil
Crystal structure of IL17FF bound to Fab fragments of MCAF5352A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Fab MCAF5352A heavy chain, ...
Authors:Huang, C.S, Yin, J.P, Hymowitz, S.G.
Deposit date:2019-07-06
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Dissecting the molecular basis of high viscosity of monospecific and bispecific IgG antibodies.
Mabs, 12
7XBY
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BU of 7xby by Molmil
The crystal structure of SARS-CoV-2 Omicron BA.1 variant RBD in complex with equine ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, BROMIDE ION, ...
Authors:Xu, Z.P, Liu, K.F, Han, P, Qi, J.X.
Deposit date:2022-03-22
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Binding and structural basis of equine ACE2 to RBDs from SARS-CoV, SARS-CoV-2 and related coronaviruses.
Nat Commun, 13, 2022
6PR2
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BU of 6pr2 by Molmil
R261A/S128A S. typhimurium siroheme synthase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Pennington, J.M, Stroupe, M.E.
Deposit date:2019-07-10
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6HNR
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BU of 6hnr by Molmil
Trypanosoma brucei PTR1 in complex with the triazine inhibitor 1 (F217)
Descriptor: 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ...
Authors:Landi, G, Pozzi, C, Mangani, S.
Deposit date:2018-09-17
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors.
Acs Infect Dis., 5, 2019

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