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7D3R
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BU of 7d3r by Molmil
FOOT AND MOUTH DISEASE VIRUS A/WH/CHA/09-BOUND THE SINGLE CHAIN FRAGME ANTIBODY R50
Descriptor: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-20
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
4R3H
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BU of 4r3h by Molmil
The crystal structure of an apo RNA binding protein
Descriptor: SULFATE ION, UNKNOWN ATOM OR ION, YTH domain-containing protein 1
Authors:Xu, C, Liu, K, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-08-15
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain.
Nat.Chem.Biol., 10, 2014
7C91
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BU of 7c91 by Molmil
Blasnase-T13A with D-asn
Descriptor: D-ASPARAGINE, FORMIC ACID, L-asparaginase, ...
Authors:Lu, F, Ran, T, Jiao, L, Wang, W.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
7CBU
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BU of 7cbu by Molmil
Blasnase-T13A with L-Asp
Descriptor: ASPARTIC ACID, FORMIC ACID, L-asparaginase, ...
Authors:Lu, F, Ran, T, Jiao, L, Wang, W.
Deposit date:2020-06-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
7C8Q
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BU of 7c8q by Molmil
Blasnase-T13A with D-asn
Descriptor: Asparaginase, D-ASPARAGINE, FORMIC ACID, ...
Authors:Lu, F, Ran, T, Jiao, L, Wang, W.
Deposit date:2020-06-03
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
7CBW
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BU of 7cbw by Molmil
Blasnase-T13A with D-asn
Descriptor: FORMIC ACID, L-asparaginase, MAGNESIUM ION
Authors:Lu, F, Ran, T, Jiao, L, Wang, W.
Deposit date:2020-06-15
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
7CB4
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BU of 7cb4 by Molmil
Crystal structures of of BlAsnase
Descriptor: FORMIC ACID, GLYCEROL, L-asparaginase, ...
Authors:Lu, F, Ran, T, Jiao, L, Wang, W.
Deposit date:2020-06-10
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
7CBR
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BU of 7cbr by Molmil
Blasnase-T13A with D-asn
Descriptor: D-ASPARAGINE, FORMIC ACID, L-asparaginase, ...
Authors:Lu, F, Ran, T, Jiao, L, Wang, W.
Deposit date:2020-06-13
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
4R3I
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BU of 4r3i by Molmil
The crystal structure of an RNA complex
Descriptor: RNA (5'-R(*GP*GP*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION, YTH domain-containing protein 1
Authors:Tempel, W, Xu, C, Liu, K, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-08-15
Release date:2014-09-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain.
Nat.Chem.Biol., 10, 2014
4RIO
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BU of 4rio by Molmil
Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor
Descriptor: 4-{[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
Authors:Sack, J.S.
Deposit date:2014-10-07
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
Authors:Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-04
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7FEJ
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BU of 7fej by Molmil
Complex of FMDV A/AF/72 and bovine neutralizing scFv antibody R55
Descriptor: A/AF/72 VP1, A/AF/72 VP2, A/AF/72 VP3, ...
Authors:He, Y, Li, K, Lou, Z.
Deposit date:2021-07-20
Release date:2021-09-29
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
7FEI
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BU of 7fei by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody R55
Descriptor: Capsid protein VP0, IG HEAVY CHAIN VARIABLE REGION, IG LAMDA CHAIN VARIABLE REGION
Authors:He, Y, Li, K, Lou, Z.
Deposit date:2021-07-20
Release date:2021-09-29
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
7EO0
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BU of 7eo0 by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY C4
Descriptor: Ig heavy chain variable region, Ig lamda chain variable region, O/TIBET/99 VP1, ...
Authors:He, Y, Li, K.
Deposit date:2021-04-21
Release date:2021-08-18
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Two Cross-Protective Antigen Sites on Foot-and-Mouth Disease Virus Serotype O Structurally Revealed by Broadly Neutralizing Antibodies from Cattle.
J.Virol., 95, 2021
6LN4
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BU of 6ln4 by Molmil
Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a
Descriptor: 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-12-28
Release date:2020-10-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
6V7O
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BU of 6v7o by Molmil
Structural Elucidation of Peptide Binding to KLHL-12, a Substrate Specific Adapter Protein in a Cul3-Ring E3 Ligase Complex
Descriptor: Dvl3-peptide, Kelch-like protein 12
Authors:Zhao, B.
Deposit date:2019-12-09
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Elucidation of Peptide Binding to KLHL-12, a Substrate Specific Adapter Protein in a Cul3-Ring E3 Ligase Complex.
Biochemistry, 59, 2020
6NX1
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BU of 6nx1 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL
Descriptor: 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
Authors:Khan, J.A.
Deposit date:2019-02-07
Release date:2020-02-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
4N75
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BU of 4n75 by Molmil
Structural Basis of BamA-mediate Outer Membrane Protein Biogenesis
Descriptor: Outer membrane protein assembly factor BamA
Authors:Ni, D.C.
Deposit date:2013-10-14
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Structural and functional analysis of the beta-barrel domain of BamA from Escherichia coli.
Faseb J., 28, 2014
6BN6
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BU of 6bn6 by Molmil
IDENTIFICATION OF BICYCLIC HEXAFLUOROISOPROPYL ALCOHOL SULFONAMIDES AS RORGT/RORC INVERSE AGONISTS
Descriptor: 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor ROR-gamma, SULFATE ION
Authors:Sack, J.
Deposit date:2017-11-16
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
6CCY
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BU of 6ccy by Molmil
Crystal structure of Akt1 in complex with a selective inhibitor
Descriptor: (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one, RAC-alpha serine/threonine-protein kinase,PIFtide
Authors:Wang, Y, Stout, S.
Deposit date:2018-02-07
Release date:2018-05-02
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Bioorg. Med. Chem. Lett., 28, 2018
8JLV
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BU of 8jlv by Molmil
Beneficial flip of substrate orientation enable determine substrate specificity for zearalenone lactone hydrolase
Descriptor: AB hydrolase-1 domain-containing protein
Authors:Xiang, L, Wang, M, Zhang, G, Zhou, J.
Deposit date:2023-06-02
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.998636 Å)
Cite:Enhancing the activity of zearalenone lactone hydrolase toward the more toxic alpha-zearalanol via a single-point mutation.
Appl.Environ.Microbiol., 90, 2024
8JNX
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BU of 8jnx by Molmil
alkaline amylase Amy703 with truncated of N-terminus domain
Descriptor: Alpha-amylase, CALCIUM ION
Authors:Xiang, L, Zhang, G, Zhou, J.
Deposit date:2023-06-06
Release date:2023-12-13
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.20279884 Å)
Cite:N-terminal domain truncation yielded a unique dimer of polysaccharide hydrolase with enhanced enzymatic activity, stability and calcium ion independence.
Int.J.Biol.Macromol., 266, 2024
5VO6
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BU of 5vo6 by Molmil
CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN IN COMPLEX WITH A PYRROLOPYRIDAZINE INHIBITOR
Descriptor: 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
Authors:Sack, J.S.
Deposit date:2017-05-02
Release date:2017-05-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5WFJ
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BU of 5wfj by Molmil
THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR
Descriptor: 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
Authors:Sack, J.
Deposit date:2017-07-12
Release date:2017-10-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of highly potent, selective, covalent inhibitors of JAK3.
Bioorg. Med. Chem. Lett., 27, 2017

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