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7Y96
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BU of 7y96 by Molmil
Crystal structure of the carboxy-terminal domain of a coronavirus M protein fused with a split GFP
Descriptor: Green fluorescent protein,Membrane protein
Authors:Wang, X, Sun, Z, Zhou, X.
Deposit date:2022-06-24
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.415 Å)
Cite:Crystal structure of the membrane (M) protein from a bat betacoronavirus.
Pnas Nexus, 2, 2023
5FW2
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BU of 5fw2 by Molmil
Crystal structure of SpCas9 variant EQR bound to sgRNA and TGAG PAM target DNA
Descriptor: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ...
Authors:Anders, C, Bargsten, K, Jinek, M.
Deposit date:2016-02-11
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.676 Å)
Cite:Structural Plasticity of Pam Recognition by Engineered Variants of the RNA-Guided Endonuclease Cas9.
Mol.Cell, 61, 2016
7U4L
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BU of 7u4l by Molmil
Crystal structure of human GPX4-U46C in complex with MAC-5576
Descriptor: Phospholipid hydroperoxide glutathione peroxidase, thiophene-2-carbaldehyde
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
5TNU
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BU of 5tnu by Molmil
S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution
Descriptor: CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ...
Authors:DuPrez, K.T, Hilario, E, Wang, I, Fan, L.
Deposit date:2016-10-14
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA.
Anal.Chem., 90, 2018
5FDL
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BU of 5fdl by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899
Descriptor: P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
Authors:Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2015-12-16
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
7U4K
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BU of 7u4k by Molmil
Crystal structure of human GPX4-U46C-R152H in complex with ML162
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7Y9B
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BU of 7y9b by Molmil
Crystal structure of the membrane (M) protein of a SARS-COV-2-related coronavirus
Descriptor: 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, Membrane protein
Authors:Wang, X, Sun, Z, Zhou, X.
Deposit date:2022-06-24
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.214 Å)
Cite:Crystal structure of the membrane (M) protein from a bat betacoronavirus.
Pnas Nexus, 2, 2023
8TBQ
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BU of 8tbq by Molmil
The crystal structure of human VISTA extra cellular domain in complex with Fab fragment of pH-selective anti-VISTA antibody
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, SNS-101 Fab heavy chain, ...
Authors:van der Horst, E.H, Mukherjee, A, Thisted, T.
Deposit date:2023-06-29
Release date:2024-03-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:VISTA checkpoint inhibition by pH-selective antibody SNS-101 with optimized safety and pharmacokinetic profiles enhances PD-1 response.
Nat Commun, 15, 2024
7MIA
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BU of 7mia by Molmil
Maize rayado fino virus protease
Descriptor: RNA replication protein
Authors:Patel, A, Mark, B.L.
Deposit date:2021-04-16
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The endopeptidase of the maize-affecting Marafivirus type member maize rayado fino virus doubles as a deubiquitinase.
J.Biol.Chem., 297, 2021
7P4M
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BU of 7p4m by Molmil
Structure of the quinolinate synthase Y107F variant in an empty open form
Descriptor: CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
8JQO
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BU of 8jqo by Molmil
Protocatecuate hydroxylase from Xylophilus ampelinus complexed with imidazole
Descriptor: 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fukushima, R, Katsuki, N, Fushinobu, S, Takaya, N.
Deposit date:2023-06-14
Release date:2023-12-06
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protocatechuate hydroxylase is a novel group A flavoprotein monooxygenase with a unique substrate recognition mechanism.
J.Biol.Chem., 300, 2023
8QFZ
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BU of 8qfz by Molmil
TSLP-Bicycle complex
Descriptor: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin
Authors:Petersen, J.
Deposit date:2023-09-05
Release date:2024-02-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin.
J.Med.Chem., 67, 2024
7P3H
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BU of 7p3h by Molmil
Peptide HC02 - Lanthanide Selectivity Engineered into Structurally Characterized Designed Coiled Coils
Descriptor: Peptide HC02, TERBIUM(III) ION, ZINC ION
Authors:White, S.A, Peacock, A.F.A.
Deposit date:2021-07-07
Release date:2021-09-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Location-Dependent Lanthanide Selectivity Engineered into Structurally Characterized Designed Coiled Coils.
Angew.Chem.Int.Ed.Engl., 60, 2021
5TFZ
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BU of 5tfz by Molmil
Crystal structure of the dimethylsulfoniopropionate (DMSP) lyase DddK complexed with nickel and diacrylate
Descriptor: 3-(acryloyloxy)propanoic acid, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ...
Authors:Schnicker, N.J, Dey, M.
Deposit date:2016-09-27
Release date:2017-06-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Insights into Dimethylsulfoniopropionate Cleavage by Cofactor-Bound DddK from the Prolific Marine Bacterium Pelagibacter.
Biochemistry, 56, 2017
6LVV
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BU of 6lvv by Molmil
N, N-dimethylformamidase
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, N,N-dimethylformamidase large subunit, ...
Authors:Arya, C.K, Ramaswamy, S, Kutti, R.V, Gurunath, R.
Deposit date:2020-02-05
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase.
Angew.Chem.Int.Ed.Engl., 59, 2020
5TCV
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BU of 5tcv by Molmil
ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate oxidase 1, NICKEL (II) ION
Authors:Gunawardana, D.M, Yosaatmadja, Y, Leung, I.K, Squire, C.J.
Deposit date:2016-09-15
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
To Be Published
7P4Q
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BU of 7p4q by Molmil
Structure of the quinolinate synthase S124A variant complexed with citrate
Descriptor: CHLORIDE ION, CITRATE ANION, FE3-S4 CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7U4M
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BU of 7u4m by Molmil
Crystal structure of human GPX4-U46C in complex with LOC1886
Descriptor: 1,2-ETHANEDIOL, 4-methoxy-1H-indole-2-carbaldehyde, Phospholipid hydroperoxide glutathione peroxidase
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
5TCY
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BU of 5tcy by Molmil
A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with CeuE (H227L variant), a periplasmic protein from Campylobacter jejuni.
Descriptor: Enterochelin uptake periplasmic binding protein, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
Authors:Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S.
Deposit date:2016-09-16
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
6MDE
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BU of 6mde by Molmil
Mevalonate kinase from Methanosarcina mazei with mevalonate bound
Descriptor: (R)-MEVALONATE, GLYCEROL, Mevalonate kinase, ...
Authors:Miller, B.R, Kung, Y.
Deposit date:2018-09-04
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into substrate and product binding in an archaeal mevalonate kinase.
PLoS ONE, 13, 2018
8QQ3
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BU of 8qq3 by Molmil
Streptavidin with a Ni-cofactor
Descriptor: 4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide, NICKEL (II) ION, Streptavidin
Authors:Zhang, K, Jakob, R.P, Ward, T.R.
Deposit date:2023-10-03
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An artificial nickel chlorinase based on the biotin-streptavidin technology.
Chem.Commun.(Camb.), 60, 2024
7MIC
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BU of 7mic by Molmil
Maize rayado fino virus protease in complex with Ubiquitin
Descriptor: 3-AMINOPROPANE, GLYCEROL, RNA replication protein, ...
Authors:Patel, A, Mark, B.L.
Deposit date:2021-04-16
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The endopeptidase of the maize-affecting Marafivirus type member maize rayado fino virus doubles as a deubiquitinase.
J.Biol.Chem., 297, 2021
8QN0
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BU of 8qn0 by Molmil
Soluble epoxide hydrolase in complex with RK3
Descriptor: (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2
Authors:Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-09-25
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
7P4P
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BU of 7p4p by Molmil
Structure of the quinolinate synthase A84L variant complexed with citrate
Descriptor: CHLORIDE ION, CITRATE ANION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
5TGH
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BU of 5tgh by Molmil
Structure of the SNX5 PX domain in complex with chlamydial protein IncE in space group P32
Descriptor: IncE, Sorting nexin-5
Authors:Collins, B, Paul, B.
Deposit date:2016-09-27
Release date:2017-05-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the hijacking of endosomal sorting nexin proteins byChlamydia trachomatis.
Elife, 6, 2017

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