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4K6H
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BU of 4k6h by Molmil
Crystal structure of CALB mutant L278M from Candida antarctica
Descriptor: 1,2-ETHANEDIOL, Lipase B
Authors:An, J, Xie, Y, Feng, Y, Wu, G.
Deposit date:2013-04-15
Release date:2014-01-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
1YO6
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BU of 1yo6 by Molmil
Crystal Structure of the putative Carbonyl Reductase Sniffer of Caenorhabditis elegans
Descriptor: Putative Carbonyl Reductase Sniffer
Authors:Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2005-01-26
Release date:2005-02-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the putative Carbonyl Reductase Sniffer of Caenorhabditis elegans
To be Published
6KQU
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BU of 6kqu by Molmil
Crystal structure of phospholipase A2
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Hou, S, Xu, T, Liu, J.
Deposit date:2019-08-18
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Residue Asn21 acts as a switch for calcium binding to modulate the enzymatic activity of human phospholipase A2 group IIE.
Biochimie, 176, 2020
5EJ2
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BU of 5ej2 by Molmil
Crystal structure of Carveol dehydrogenase from Mycobacterium avium in complex with NAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-10-31
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3VAX
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BU of 3vax by Molmil
Crystal structure of DndA from streptomyces lividans
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putative uncharacterized protein dndA
Authors:Zhang, Z, Chen, F, Lin, K, Wu, G.
Deposit date:2011-12-30
Release date:2013-01-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the cysteine desulfurase DndA from Streptomyces lividans which is involved in DNA phosphorothioation
Plos One, 7, 2012
1AX8
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BU of 1ax8 by Molmil
Human obesity protein, leptin
Descriptor: OBESITY PROTEIN
Authors:Zhang, F, Beals, J.M, Briggs, S.L, Clawson, D.K, Wery, J.-P, Schevitz, R.W.
Deposit date:1997-10-31
Release date:1998-11-25
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the obese protein leptin-E100.
Nature, 387, 1997
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
Descriptor: Ran guanine nucleotide release factor
Authors:Hu, Q, Liu, Y, Bao, X, Liu, H.
Deposit date:2017-09-21
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
5KU9
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BU of 5ku9 by Molmil
Crystal structure of MCL1 with compound 1
Descriptor: (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION
Authors:Ferguson, A.D.
Deposit date:2016-07-13
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
8UAI
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BU of 8uai by Molmil
Crystal structure of hetero hexameric hazelnut allergen Cor a 9
Descriptor: 11S globulin 1, 11S globulin 2, 11S globulin 3, ...
Authors:Zhang, Y.Z, Guo, F.
Deposit date:2023-09-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of hetero hexameric 11S seed storage protein of hazelnut.
Plant Physiol Biochem., 210, 2024
7LRS
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BU of 7lrs by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody A23-58.1 that targets the receptor-binding domain
Descriptor: Spike glycoprotein, 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, antibody A23-58.1 heavy chain, ...
Authors:Zhou, T, Tsybovsky, Y.
Deposit date:2021-02-17
Release date:2021-07-14
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
7XP1
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BU of 7xp1 by Molmil
Crystal structure of PmiR from Pseudomonas aeruginosa
Descriptor: ALPHA-METHYLISOCITRIC ACID, GLYCEROL, Probable transcriptional regulator, ...
Authors:Zhang, Y.X, Liang, H.H, Gan, J.H.
Deposit date:2022-05-02
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:PmiR senses 2-methylisocitrate levels to regulate bacterial virulence in Pseudomonas aeruginosa.
Sci Adv, 8, 2022
7XP0
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BU of 7xp0 by Molmil
Crystal structure of PmiR from Pseudomonas aeruginosa
Descriptor: Probable transcriptional regulator, SULFATE ION, ZINC ION
Authors:Zhang, Y.X, Liang, H.H, Gan, J.H.
Deposit date:2022-05-02
Release date:2023-04-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:PmiR senses 2-methylisocitrate levels to regulate bacterial virulence in Pseudomonas aeruginosa.
Sci Adv, 8, 2022
4EJF
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BU of 4ejf by Molmil
Allosteric peptides that bind to a caspase zymogen and mediate caspase tetramerization
Descriptor: Caspase-6, PHOSPHATE ION, phage-derived peptide 419
Authors:Murray, J.M.
Deposit date:2012-04-06
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6465 Å)
Cite:Allosteric peptides bind a caspase zymogen and mediate caspase tetramerization.
Nat.Chem.Biol., 8, 2012
7KC1
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BU of 7kc1 by Molmil
Cryo-EM structure of SRR2899884.46167H+MEDI8852L fab in complex with Victoria HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-10-04
Release date:2021-05-12
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Sequence-Signature Optimization Enables Improved Identification of Human HV6-1-Derived Class Antibodies That Neutralize Diverse Influenza A Viruses.
Front Immunol, 12, 2021
8KHD
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BU of 8khd by Molmil
The interface structure of Omicron RBD binding to 5817 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ...
Authors:Cao, L, Wang, X.
Deposit date:2023-08-21
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8KHC
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BU of 8khc by Molmil
SARS-CoV-2 Omicron spike in complex with 5817 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817 Fab, ...
Authors:Cao, L, Wang, X.
Deposit date:2023-08-21
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
5C0R
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BU of 5c0r by Molmil
Crystal Structure of a Generation 3 Influenza Hemagglutinin Stabilized Stem Complexed with the Broadly Neutralizing Antibody C179
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C179 Fab heavy chain, ...
Authors:Boyington, J.C, kwong, P.D, Nabel, G.J, Mascola, J.R.
Deposit date:2015-06-12
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.188 Å)
Cite:Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection.
Nat. Med., 21, 2015
5CF8
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BU of 5cf8 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
Descriptor: N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms.
Acs Med.Chem.Lett., 6, 2015
7KN3
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BU of 7kn3 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ...
Authors:Liu, H, Zhu, X, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
7KN4
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BU of 7kn4 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-E6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S-E6 Fab heavy chain, S-E6 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
4H3A
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BU of 4h3a by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1330
Descriptor: (2Z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4ZM9
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BU of 4zm9 by Molmil
Crystal structure of circularly permuted human asparaginase-like protein 1
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CITRATE ANION, ...
Authors:Li, W.Z, Zhang, Y.
Deposit date:2015-05-02
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Intramolecular Cleavage of the hASRGL1 Homodimer Occurs in Two Stages.
Biochemistry, 55, 2016
7T4J
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BU of 7t4j by Molmil
Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W, Hu, Y.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
4H2J
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BU of 4h2j by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1354
Descriptor: N~4~-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N~1~-[4-(1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-12
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H2O
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BU of 4h2o by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1248
Descriptor: 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013

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數據於2024-10-09公開中

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