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6NX6
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BU of 6nx6 by Molmil
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 5
Descriptor: ACETIC ACID, CITRIC ACID, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
4S3Q
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BU of 4s3q by Molmil
Amylomaltase MalQ from Escherichia coli in complex with maltose
Descriptor: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase, IODIDE ION, ...
Authors:Weiss, S.C, Schiefner, A.
Deposit date:2015-03-26
Release date:2015-07-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for the Interconversion of Maltodextrins by MalQ, the Amylomaltase of Escherichia coli.
J.Biol.Chem., 290, 2015
5LAE
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BU of 5lae by Molmil
Crystal structure of murine N1-acetylpolyamine oxidase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase,Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
Authors:Sjogren, T, Aagaard, A, Snijder, A, Barlind, L.
Deposit date:2016-06-14
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Biochemistry, 56, 2017
7X5F
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BU of 7x5f by Molmil
Nrf2-MafG heterodimer bound with CsMBE2
Descriptor: Nuclear factor erythroid 2-related factor 2, Synthetic DNA, Transcription factor MafG
Authors:Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
Deposit date:2022-03-04
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
6XLI
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BU of 6xli by Molmil
CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY PT3 Fab+pT212/pT217-TAU PEPTIDE
Descriptor: GLYCEROL, PT3 Fab Heavy Chain, PT3 Fab Light Chain, ...
Authors:Malia, T.J, Teplyakov, A, Luo, J.
Deposit date:2020-06-28
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Functional Characterization of hPT3, a Humanized Anti-Phospho Tau Selective Monoclonal Antibody.
J Alzheimers Dis, 77, 2020
7XAR
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BU of 7xar by Molmil
Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor
Descriptor: 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ...
Authors:Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A.
Deposit date:2022-03-18
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
4RP6
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BU of 4rp6 by Molmil
Structure of the amyloid-forming segment LTIITLE from p53 (residues 252-258)
Descriptor: LTIITLE heptapeptide segment from p53
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
6ER5
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BU of 6er5 by Molmil
X-ray structure of Trypanothione Reductase from Leishmania infantum in complex with 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
Descriptor: 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Ilari, A, Fiorillo, A.
Deposit date:2017-10-17
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Identification and binding mode of a novel Leishmania Trypanothione reductase inhibitor from high throughput screening.
Plos Negl Trop Dis, 12, 2018
6NXA
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BU of 6nxa by Molmil
ECAII(D90T,K162T) MUTANT AT PH 7
Descriptor: ACETIC ACID, GLYCEROL, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
7X5G
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BU of 7x5g by Molmil
Nrf2 (A510Y)-MafG heterodimer bound with CsMBE2
Descriptor: DNA (5'-D(*CP*AP*CP*AP*GP*TP*GP*AP*CP*TP*CP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP*CP*TP*GP*T)-3'), Nuclear factor erythroid 2-related factor 2, ...
Authors:Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
Deposit date:2022-03-04
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
4RQB
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BU of 4rqb by Molmil
Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (tetragonal space group)
Descriptor: CHLORIDE ION, GLYCEROL, Hypoxanthine phosphoribosyltransferase, ...
Authors:Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-10-31
Release date:2014-11-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (tetragonal space group)
To be Published
7X5E
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BU of 7x5e by Molmil
Nrf2-MafG heterodimer bound with CsMBE1
Descriptor: DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*GP*TP*CP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP*TP*CP*AP*T)-3'), HEXAETHYLENE GLYCOL, ...
Authors:Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
Deposit date:2022-03-04
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
6NXC
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BU of 6nxc by Molmil
ECAI(T162A) MUTANT IN COMPLEX WITH CITRATE AT PH 4
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, CHLORIDE ION, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
5FHX
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BU of 5fhx by Molmil
CRYSTAL STRUCTURE OF CODV IN COMPLEX WITH IL4 AT 2.55 Ang. RESOLUTION.
Descriptor: Antibody fragment light chain, Interleukin-4, PHOSPHATE ION, ...
Authors:Vallee, F, Dupuy, A, Rak, A.
Deposit date:2015-12-22
Release date:2016-03-30
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications.
Mabs, 8, 2016
6XHU
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BU of 6xhu by Molmil
Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design
Descriptor: 3C-like proteinase
Authors:Kneller, D.W, Coates, L, Kovalevsky, A.
Deposit date:2020-06-19
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
4S35
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BU of 4s35 by Molmil
AMPPCP and TMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
Febs J., 284, 2017
6NX8
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BU of 6nx8 by Molmil
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 6.2
Descriptor: ACETIC ACID, CITRIC ACID, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6R8A
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BU of 6r8a by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-methionine
Descriptor: Glutamate receptor 3.3,Glutamate receptor 3.3, METHIONINE, SODIUM ION, ...
Authors:Alfieri, A, Pederzoli, R, Costa, A.
Deposit date:2019-04-01
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
8T55
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BU of 8t55 by Molmil
Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
Descriptor: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
Authors:Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-06-12
Release date:2023-07-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
7P0K
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BU of 7p0k by Molmil
Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand
Descriptor: 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H.
Deposit date:2021-06-29
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands
J Med Chem, 64, 2021
6XS3
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BU of 6xs3 by Molmil
X-ray structure of the monoclinic crystal form at 2.48 A resolution of lipase from Thermomyces (Humicola) lanuginosa at 298 K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
Authors:McPherson, A.
Deposit date:2020-07-14
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
Current Enzyme Inhibition, 16, 2020
5HCG
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BU of 5hcg by Molmil
CRYSTAL STRUCTURE OF FREE-CODV.
Descriptor: CODV heavy-chain, CODV light chain
Authors:Vallee, F, Dupuy, A, Rak, A.
Deposit date:2016-01-04
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications.
Mabs, 8, 2016
6XZ3
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BU of 6xz3 by Molmil
Crystal structure of TLNRD1 4-helix bundle
Descriptor: 1,2-ETHANEDIOL, Talin rod domain-containing protein 1
Authors:Cowell, A, Singh, A.K, Brown, D.G, Goult, B.T.
Deposit date:2020-02-01
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Talin rod domain-containing protein 1 (TLNRD1) is a novel actin-bundling protein which promotes filopodia formation.
J.Cell Biol., 220, 2021
4S2F
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BU of 4s2f by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 4.4
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4S3R
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BU of 4s3r by Molmil
Amylomaltase MalQ from Escherichia coli in complex with the pseudo-heptasaccharide acarviosine-glucose-acarbose
Descriptor: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase, ACARBOSE DERIVED HEPTASACCHARIDE
Authors:Weiss, S.C, Schiefner, A.
Deposit date:2015-03-26
Release date:2015-07-08
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for the Interconversion of Maltodextrins by MalQ, the Amylomaltase of Escherichia coli.
J.Biol.Chem., 290, 2015

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數據於2024-08-07公開中

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