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6GNQ
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BU of 6gnq by Molmil
Monoclinic crystalline form of human insulin, complexed with meta-cresol
Descriptor: 1,2-ETHANEDIOL, Insulin, M-CRESOL, ...
Authors:Margiolaki, I, Karavassili, F, Valmas, A, Dimarogona, M, Giannopoulou, A.E, Fili, S, Schluckebier, G, Norrman, M, Beckers, D, Fitch, A.N.
Deposit date:2018-05-31
Release date:2019-06-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Monoclinic crystalline form of human insulin, complexed with meta-cresol
To Be Published
8A24
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BU of 8a24 by Molmil
Lysophospholipase PlaA from Legionella pneumophila str. Corby - iodide soak
Descriptor: IODIDE ION, Lysophospholipase A
Authors:Diwo, M.G, Blankenfeldt, W.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
7BV7
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BU of 7bv7 by Molmil
INTS3 complexed with INTS6
Descriptor: Integrator complex subunit 3, Integrator complex subunit 6
Authors:Jia, Y, Bharath, S.R, Song, H.
Deposit date:2020-04-09
Release date:2021-07-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the INTS3/INTS6 complex reveals the functional importance of INTS3 dimerization in DSB repair.
Cell Discov, 7, 2021
7T89
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BU of 7t89 by Molmil
Light harvesting complex Phycocyanin PC577 from the cryptophyte Hemiselmis pacifica CCMP 706
Descriptor: DiCys-(15,16)-Dihydrobiliverdin, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ...
Authors:Michie, K.A, Curmi, P.C, Harrop, S, Rathbone, H.W.
Deposit date:2021-12-16
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
6GJ9
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BU of 6gj9 by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - REGENERATION COMPLEX
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-16
Release date:2019-11-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of a cereal purple acid phytase provides insights to phytate degradation in plants
To Be Published
7ZZX
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BU of 7zzx by Molmil
Crystal structure of Candida auris DHFR in apo form
Descriptor: Dihydrofolate reductase
Authors:Kirkman, T.J, Dias, M.V.B.
Deposit date:2022-05-26
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023
6HBT
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BU of 6hbt by Molmil
The structure of the G. violaceus guanidine II riboswitch P2 stem-loop with arcaine
Descriptor: 1-(4-carbamimidamidobutyl)guanidine, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SULFATE ION
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2018-08-13
Release date:2019-02-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure-guided design of a high-affinity ligand for a riboswitch.
Rna, 25, 2019
8A25
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BU of 8a25 by Molmil
Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with PEG fragment
Descriptor: (R,R)-2,3-BUTANEDIOL, IODIDE ION, Lysophospholipase A, ...
Authors:Diwo, M.G, Blankenfeldt, W.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
7T8S
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BU of 7t8s by Molmil
Light Harvesting complex phycoerythrin PE 566, from the cryptophyte Cryptomonas pyrenoidifera
Descriptor: Bilin 584 (doubly linked), Bilin 584 (single linked), Bilin 618 (single linked), ...
Authors:Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G.
Deposit date:2021-12-17
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
6XX0
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BU of 6xx0 by Molmil
Crystal structure of NEMO in complex with Ubv-LIN
Descriptor: Inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase gamma, isoform CRA_b, ...
Authors:Akutsu, M, Skenderovic, A, Garcia-Pardo, J, Maculins, T, Dikic, I.
Deposit date:2020-01-26
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Protein-Protein Interaction Inhibitors by Integrating Protein Engineering and Chemical Screening Platforms.
Cell Chem Biol, 27, 2020
8A2G
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BU of 8a2g by Molmil
Crystal structure of Sebokelevirus 2A2 protein
Descriptor: 1,2-ETHANEDIOL, 2A2 protein, TETRAETHYLENE GLYCOL
Authors:Zhu, L, Von Castelmur, E, Whang, X, Ren, J, Fry, E, Perrakis, A, Stuart, D.I.
Deposit date:2022-06-03
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural plasticity of 2A proteins in the Parechovirus family
to be published
6HDY
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BU of 6hdy by Molmil
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with S3-HB-AMP
Descriptor: (3S)-3-HYDROXYBUTANOIC ACID, 2-hydroxyisobutyryl-CoA synthetase, SULFATE ION, ...
Authors:Zahn, M, Rohwerder, T, Strater, N.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle.
J.Mol.Biol., 431, 2019
6HE6
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BU of 6he6 by Molmil
Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with dodecane-trimethylamine
Descriptor: Cell division protein FtsX, DODECANE-TRIMETHYLAMINE
Authors:Martinez-Caballero, S, Alcorlo-Pages, M, Hermoso, J.A.
Deposit date:2018-08-20
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae.
Mbio, 10, 2019
8A26
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BU of 8a26 by Molmil
Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with palmitate
Descriptor: (R,R)-2,3-BUTANEDIOL, Lysophospholipase A, MALONIC ACID, ...
Authors:Diwo, M.G, Blankenfeldt, W.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
6O7S
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BU of 6o7s by Molmil
Nitrogenase MoFeP mutant S188A from Azotobacter vinelandii in the indigo carmine oxidized state
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(6)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Tezcan, F.A.
Deposit date:2019-03-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
6CXU
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BU of 6cxu by Molmil
Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide
Descriptor: CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L.
Deposit date:2018-04-04
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
6O89
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BU of 6o89 by Molmil
Anti-CD28xCD3 CODV Fab
Descriptor: Anti-CD28xCD3 CODV-Fab Heavy chain, Anti-CD28xCD3 CODV-Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2019-03-09
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
Nat Cancer, 1, 2020
6HFK
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BU of 6hfk by Molmil
Human dihydroorotase mutant F1563L co-crystallized with carbamoyl aspartate at pH 6.5
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.459144 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
6HG6
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BU of 6hg6 by Molmil
Clostridium beijerinckii aldo-keto reductase Cbei_3974 with NADPH
Descriptor: 1,2-ETHANEDIOL, L-glyceraldehyde 3-phosphate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Scott, A.F, Cresser-Brown, J, Rizkallah, P.J, Jin, Y, Allemann, R.K.
Deposit date:2018-08-22
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure and Biophysical Analysis of Furfural-Detoxifying Aldehyde Reductase from Clostridium beijerinckii.
Appl.Environ.Microbiol., 85, 2019
7T1D
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BU of 7t1d by Molmil
Human SIRT2 in complex with small molecule 359
Descriptor: 1,2-ETHANEDIOL, 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline, DIMETHYL SULFOXIDE, ...
Authors:Kulp, J.L, Remiszewski, S, Todd, M, Chiang, L.W.
Deposit date:2021-12-01
Release date:2023-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An allosteric inhibitor of sirtuin 2 deacetylase activity exhibits broad-spectrum antiviral activity.
J.Clin.Invest., 133, 2023
6CYM
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BU of 6cym by Molmil
Reversible Covalent Direct Thrombin Inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxybenzoic acid, Prothrombin, ...
Authors:Sivaraja, M, Williams, D.C.
Deposit date:2018-04-06
Release date:2018-05-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Reversible covalent direct thrombin inhibitors.
PLoS ONE, 13, 2018
8TYJ
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BU of 8tyj by Molmil
Crystal structure of SARS-CoV-2 nsp10/nsp16 complex with bound SAH
Descriptor: 2'-O-methyltransferase, GLYCEROL, Non-structural protein 10, ...
Authors:Patel, K.P, Bruner, S.D.
Deposit date:2023-08-25
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10/nsp16 complex with bound SAH
To Be Published
7ST5
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BU of 7st5 by Molmil
Structure of Fab CC-95251 in complex with SIRP-alpha
Descriptor: 1,2-ETHANEDIOL, Fab CC-95251 anti-SIRP-alpha heavy chain, Fab CC-95251 anti-SIRP-alpha light chain, ...
Authors:Fenalti, G.
Deposit date:2021-11-12
Release date:2023-05-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Preclinical Activity of BMS-986351, an Antibody to SIRP alpha That Enhances Macrophage-mediated Tumor Phagocytosis When Combined with Opsonizing Antibodies.
Cancer Res Commun, 4, 2024
6CTE
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BU of 6cte by Molmil
77Se-NMR probes the protein environment of selenomethionine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Chen, Q, Rozovsky, S.
Deposit date:2018-03-22
Release date:2019-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
6HIU
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BU of 6hiu by Molmil
Cytochrome P460 from Methylococcus capsulatus (Bath)
Descriptor: Cytochrome P460, GLYCEROL, HEME C, ...
Authors:Adams, H, Chicano, T.M, Hough, M.A.
Deposit date:2018-08-31
Release date:2019-03-20
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:One fold, two functions: cytochrome P460 and cytochromec'-beta from the methanotrophMethylococcus capsulatus(Bath).
Chem Sci, 10, 2019

225681

數據於2024-10-02公開中

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