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2CC7
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BU of 2cc7 by Molmil
Complexes of Dodecin with Flavin and Flavin-like Ligands
Descriptor: CHLORIDE ION, LUMICHROME, MAGNESIUM ION, ...
Authors:Grininger, M, Zeth, K, Oesterhelt, D.
Deposit date:2006-01-13
Release date:2006-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dodecins: A Family of Lumichrome Binding Proteins.
J.Mol.Biol., 357, 2006
8FHL
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BU of 8fhl by Molmil
Structure of pyruvate dehydrogenase phosphatase regulatory subunit neoepitope presented by H2-Dd
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-D alpha chain, ...
Authors:Custodio, J.M.F, Baker, B.M.
Deposit date:2022-12-14
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Structure of Pyruvate dehydrogenase phosphatase regulatory subunit neoepitope presented by H2-Dd
To Be Published
7QVR
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BU of 7qvr by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-37 (G206S, R207T, D210S)
Descriptor: Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ...
Authors:Loch, J.I, Kadziolka, K, Jaskolski, M.
Deposit date:2022-01-23
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
7QY6
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BU of 7qy6 by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, wild type (WT EcAIII)
Descriptor: Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ...
Authors:Loch, J.I, Klonecka, A, Kadziolka, K, Bonarek, P, Barciszewski, J, Imiolczyk, B, Brzezinski, K, Jaskolski, M.
Deposit date:2022-01-27
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
8FWA
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BU of 8fwa by Molmil
Phycocyanin structure from a modular droplet injector for serial femtosecond crystallography
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN, ...
Authors:Botha, S, Doppler, D.L, Sonker, M, Egatz-Gomez, A, Grieco, A, Zaare, S, Jernigan, R, Meza-Aguilar, J.D, Rabbani, M.T, Manna, A, Alvarez, R, Karpos, K, Cruz Villarreal, J, Nelson, G, Ketawala, G.K, Pey, A.L, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Nazari, R, Sierra, R, Hunter, M.S, Batyuk, A, Kupitz, C.J, Sublett, R.E, Lisova, S, Mariani, V, Boutet, S, Fromme, R, Grant, T.D, Fromme, P, Kirian, R.A, Martin-Garcia, J.M, Ros, A.
Deposit date:2023-01-20
Release date:2023-06-28
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
7TNH
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BU of 7tnh by Molmil
Crystal structure of CSF1R kinase domain in complex with DP-6233
Descriptor: 2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide, CHLORIDE ION, Macrophage colony-stimulating factor 1 receptor,Fibroblast growth factor receptor 1 chimera, ...
Authors:Edwards, T.E, Arakaki, T.L, Chun, L, Flynn, D.L.
Deposit date:2022-01-21
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of acyl ureas as highly selective small molecule CSF1R kinase inhibitors.
Bioorg.Med.Chem.Lett., 74, 2022
7QOA
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BU of 7qoa by Molmil
Structure of CodB, a cytosine transporter in an outward-facing conformation
Descriptor: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ...
Authors:Hatton, C.E, Cameron, A.D.
Deposit date:2021-12-23
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism.
Embo J., 41, 2022
7QQ8
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BU of 7qq8 by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-8 (G206Y, R207Q, D210P, S211T)
Descriptor: Beta-aspartyl-peptidase, CHLORIDE ION, SODIUM ION
Authors:Loch, J.I, Kadziolka, K, Jaskolski, M.
Deposit date:2022-01-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
7QH0
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BU of 7qh0 by Molmil
Apo structure of the Leishmania mexicana triose-phosphate isomerase (LmTIM), N11A-E65Q variant, open conformation
Descriptor: CHLORIDE ION, SODIUM ION, Triosephosphate isomerase
Authors:Cordara, G, Wierenga, R.K.
Deposit date:2021-12-10
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Role of Asn11 in Catalysis by Triosephosphate Isomerase.
Biochemistry, 62, 2023
8FF7
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BU of 8ff7 by Molmil
Cytosolic ascorbate peroxidase mutant from Panicum virgatum- ascorbate complex
Descriptor: ASCORBIC ACID, Cytosolic ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-07
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Activity of Cytosolic Ascorbate Peroxidase (APX) from Panicum virgatum against Ascorbate and Phenylpropanoids.
Int J Mol Sci, 24, 2023
8FF6
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BU of 8ff6 by Molmil
Cytosolic ascorbate peroxidase mutant from Panicum virgatum
Descriptor: Cytosolic ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Activity of Cytosolic Ascorbate Peroxidase (APX) from Panicum virgatum against Ascorbate and Phenylpropanoids.
Int J Mol Sci, 24, 2023
7QHP
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BU of 7qhp by Molmil
Structure of I-Ag7 with a bound hybrid insulin peptide
Descriptor: GLYCEROL, H-2 class II histocompatibility antigen, A-D alpha chain, ...
Authors:Lopez-Sagaseta, J, Erausquin, E.
Deposit date:2021-12-13
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural plasticity in I-A g7 links autoreactivity to hybrid insulin peptides in type I diabetes.
Front Immunol, 13, 2022
8FXQ
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BU of 8fxq by Molmil
The Crystal Sturucture of Rhizopuspepsin with a bound modified peptide inhibitor generated by de novo drug design.
Descriptor: ALA-CYS-VAL-LYS, CYCLOHEXANE, Rhizopuspepsin, ...
Authors:Satyshur, K.A, Rich, D.H, Ripka, A.S.
Deposit date:2023-01-25
Release date:2023-02-08
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Aspartic protease inhibitors designed from computer-generated templates bind as predicted.
Org Lett, 3, 2001
2CFD
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BU of 2cfd by Molmil
AGAO in complex with wc4l3 (Ru-wire inhibitor, 4-carbon linker, lambda enantiomer, data set 3)
Descriptor: BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)BUTOXY]-N,N-DIMETHYLANILINATO(2-)}RUTHENIUM, COPPER (II) ION, GLYCEROL, ...
Authors:Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B.
Deposit date:2006-02-20
Release date:2007-05-01
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enantiomer-Specific Binding of Ruthenium(II) Molecular Wires by the Amine Oxidase of Arthrobacter Globiformis.
J.Am.Chem.Soc., 130, 2008
8OYH
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BU of 8oyh by Molmil
X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-Can-Tle-Can-6-(aminomethyl)-3-amino-isoindol
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2023-05-04
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
7U0M
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BU of 7u0m by Molmil
Crystal structure of a enoyl-[acyl-carrier-protein] reductase (InhA) from Mycobacterium abscessus bound to NAD and NITD-916
Descriptor: 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-18
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Efficacy and Mode of Action of a Direct Inhibitor of Mycobacterium abscessus InhA.
Acs Infect Dis., 8, 2022
7Q7A
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BU of 7q7a by Molmil
Room temperature structure of RNase A at 120 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7QF7
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BU of 7qf7 by Molmil
Orthorhombic crystal structure of PTG CBM21 in complex with beta-cyclodextrin
Descriptor: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Protein phosphatase 1 regulatory subunit 3C, SODIUM ION
Authors:Semrau, M.S, Storici, P, Lolli, G.
Deposit date:2021-12-04
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Molecular architecture of the glycogen- committed PP1/PTG holoenzyme.
Nat Commun, 13, 2022
2CCC
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BU of 2ccc by Molmil
Complexes of Dodecin with Flavin and Flavin-like Ligands
Descriptor: CHLORIDE ION, LUMIFLAVIN, MAGNESIUM ION, ...
Authors:Grininger, M, Zeth, K, Oesterhelt, D.
Deposit date:2006-01-13
Release date:2006-01-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dodecins: A Family of Lumichrome Binding Proteins.
J.Mol.Biol., 357, 2006
3LRK
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BU of 3lrk by Molmil
Structure of alfa-galactosidase (MEL1) from Saccharomyces cerevisiae
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fernandez-Leiro, R, Pereira-Rodriguez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J.
Deposit date:2010-02-11
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of Saccharomyces cerevisiae alpha-galactosidase and its complexes with natural substrates reveals new insights into substrate specificity of GH27 glycosidases.
J.Biol.Chem., 285, 2010
7Q77
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BU of 7q77 by Molmil
Room temperature structure of RNase A at 50 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7U34
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BU of 7u34 by Molmil
The structure of phosphoglucose isomerase from Aspergillus fumigatus
Descriptor: CHLORIDE ION, CITRATE ANION, GLYCEROL, ...
Authors:Yan, K, Kowalski, B, Fang, W, van Aalten, D.
Deposit date:2022-02-25
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
7Q76
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BU of 7q76 by Molmil
Room temperature structure of RNase A at 22 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q5C
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BU of 7q5c by Molmil
Crystal structure of OmpG in space group 96
Descriptor: Outer membrane porin G, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Nguyen, T.T.M, Khan, A.R, Barringer, R, McManus, J.J, Race, P.R.
Deposit date:2021-11-03
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.717 Å)
Cite:Experimental phase diagrams to optimise OmpG
To Be Published
7Q79
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BU of 7q79 by Molmil
Room temperature structure of RNase A at 100 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published

225158

數據於2024-09-18公開中

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