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7AEG
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BU of 7aeg by Molmil
SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide
Authors:Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
Deposit date:2020-09-17
Release date:2021-07-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
8DQ2
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BU of 8dq2 by Molmil
X-ray crystal structure of Hansschlegelia quercus lanmodulin (LanM) with lanthanum (III) bound at pH 7
Descriptor: CITRIC ACID, EF-hand domain-containing protein, LANTHANUM (III) ION, ...
Authors:Jung, J.J, Lin, C.-Y, Boal, A.K.
Deposit date:2022-07-18
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer.
Nature, 618, 2023
7MEA
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BU of 7mea by Molmil
CDD-1 beta-lactamase in imidazole/MPD 1 minute avibactam complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
6LYK
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BU of 6lyk by Molmil
Crystal Structure of R1263A mutant of Formylglycinamidine Synthetase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE, ...
Authors:Sharma, N, Tanwar, A.S, Anand, R.
Deposit date:2020-02-14
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
6UQC
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BU of 6uqc by Molmil
Mouse IgG2a Bispecific Fc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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, ...
Authors:Wang, F, Tsai, J.C, Davis, J.H, West, S.M, Strop, P.
Deposit date:2019-10-18
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design and characterization of mouse IgG1 and IgG2a bispecific antibodies for use in syngeneic models.
Mabs, 12, 2019
7A5W
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BU of 7a5w by Molmil
Structure of D172N BlaC from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase
Authors:Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
Deposit date:2020-08-24
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
6LYL
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BU of 6lyl by Molmil
Crystal structure of S1052D mutant of Formylglycinamidine synthetase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Sharma, N, Tanwar, A.S, Anand, R.
Deposit date:2020-02-14
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
6PGQ
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BU of 6pgq by Molmil
Crystal structure of N-glycosylated human calcitonin receptor extracellular domain in complex with salmon calcitonin (22-32)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Calcitonin, ...
Authors:Lee, S, Pioszak, A.A.
Deposit date:2019-06-24
Release date:2020-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Calcitonin Receptor N-Glycosylation Enhances Peptide Hormone Affinity by Controlling Receptor Dynamics.
J.Mol.Biol., 432, 2020
7MQQ
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BU of 7mqq by Molmil
Structure of an allelic variant of Puccinia graminis f. sp. tritici (Pgt) effector AvrSr50 (QCMJC)
Descriptor: MAGNESIUM ION, Stem rust effector protein AvrSr50
Authors:Outram, M.A, Ericsson, D.J, Williams, S.J.
Deposit date:2021-05-06
Release date:2022-02-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The stem rust effector protein AvrSr50 escapes Sr50 recognition by a substitution in a single surface-exposed residue.
New Phytol., 234, 2022
8E0R
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BU of 8e0r by Molmil
Crystal structure of mouse APCDD1 in P21 space group
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein APCDD1
Authors:Hsieh, F.L, Chang, T.H, Gabelli, S.B, Nathans, J.
Deposit date:2022-08-09
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
6VBS
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BU of 6vbs by Molmil
The C2 Crystal form of SodCI Superoxide Dismutase at 1.7 A resolution with 6 molecules in the asymmetric unit.
Descriptor: COPPER (II) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Satyshur, K.A, Forest, K.T, Newhouse, P.W.
Deposit date:2019-12-19
Release date:2020-12-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Muropeptide Binding of the Virulence Factor Superoxide Dismutase C1 from Salmonella Typhimurium
To Be Published
7MEB
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BU of 7meb by Molmil
CDD-1 beta-lactamase in imidazole/MPD 2 minute avibactam complex
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2021-04-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
8DLC
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BU of 8dlc by Molmil
Crystal structure of chalcone-isomerase like protein from Vitis vinifera (VvCHIL)
Descriptor: Chalcone-flavonone isomerase family protein
Authors:Wolf Saxon, E, Moorman, C, Castro, A, Ruiz, A, Mallari, J.P, Burke, J.R.
Deposit date:2022-07-07
Release date:2023-05-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Regulatory ligand binding in plant chalcone isomerase-like (CHIL) proteins.
J.Biol.Chem., 299, 2023
6P8H
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BU of 6p8h by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P21
Descriptor: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1, G1/S-specific cyclin-D1
Authors:Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
6VCG
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BU of 6vcg by Molmil
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, cobalt form
Descriptor: CHLORIDE ION, COBALT (II) ION, SODIUM ION, ...
Authors:Daruwalla, A, Shi, W, Kiser, P.D.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6M0F
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BU of 6m0f by Molmil
X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in substrate-free form
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Antibody fragment (9D5) Light chain, Antibody fragment (9D5) heavy chain, ...
Authors:Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A.
Deposit date:2020-02-21
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
7A5T
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BU of 7a5t by Molmil
Crystal structure of A55E mutant of BlaC from Mycobacterium tuberculosis
Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION
Authors:Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
Deposit date:2020-08-21
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
6UQI
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BU of 6uqi by Molmil
Crystal structure of Q38A human DNA polymerase eta bound with 8-oxoadenine (oxoA) and non-hydrolyzable dGTP analog (dGTP*)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(A38)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Jung, H, Lee, S.
Deposit date:2019-10-19
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Q38A human DNA polymerase eta bound with 8-oxoadenine (oxoA) and non-hydrolyzable dGTP analog (dGTP*)
To Be Published
6ZNH
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BU of 6znh by Molmil
Structure of the Salmonella PrgI needle filament attached to the basal body
Descriptor: PrgI
Authors:Lunelli, M, Kotov, V, Wald, J, Kolbe, M, Marlovits, T.C.
Deposit date:2020-07-06
Release date:2021-07-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Helical reconstruction of Salmonella and Shigella needle filaments attached to type 3 basal bodies.
Biochem Biophys Rep, 27, 2021
7MC4
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BU of 7mc4 by Molmil
Crystal structure of a single-chain E/F type bilin lyase-isomerase MpeQ
Descriptor: Bilin Lyase-Isomerase
Authors:Yang, X, Kumarapperuma, I.
Deposit date:2021-04-01
Release date:2022-02-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and molecular mechanism of an E/F type bilin lyase-isomerase.
Structure, 30, 2022
6M2R
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BU of 6m2r by Molmil
X-ray structure of a functional Drosophila dopamine transporter in L-norepinephrine bound form
Descriptor: Antibody fragment 9D5 Light chain, Antibody fragment 9D5 heavy chain, CHLORIDE ION, ...
Authors:Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A.
Deposit date:2020-02-28
Release date:2021-02-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
6P8P
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BU of 6p8p by Molmil
Structure of P. aeruginosa ATCC27853 HORMA1
Descriptor: CALCIUM ION, Uncharacterized protein
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.635 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
8E5G
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BU of 8e5g by Molmil
Cryo-EM of A. veneficus cytochrome filament
Descriptor: HEME C, c-type cytochrome
Authors:Wang, F, Baquero, D.P, Krupovic, M, Egelman, E.H.
Deposit date:2022-08-22
Release date:2023-05-10
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes.
Cell, 186, 2023
6LTB
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BU of 6ltb by Molmil
Crystal Structure of Nonribosomal peptide synthetases (NRPS), FmoA3 (S1046A)-AMPPNP bound form
Descriptor: Nonribosomal peptide synthetase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Senda, T, Harada, A.
Deposit date:2020-01-22
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Functional Analyses of the Tridomain-Nonribosomal Peptide Synthetase FmoA3 for 4-Methyloxazoline Ring Formation.
Angew.Chem.Int.Ed.Engl., 60, 2021
7MCS
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BU of 7mcs by Molmil
Cryo-electron microscopy structure of TnsC(1-503)A225V bound to DNA
Descriptor: DNA (5'-D(P*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Shen, Y, Ortega, J, Guarne, A.
Deposit date:2021-04-02
Release date:2022-02-23
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural basis for DNA targeting by the Tn7 transposon.
Nat.Struct.Mol.Biol., 29, 2022

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数据于2024-10-30公开中

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