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3LS3
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BU of 3ls3 by Molmil
Padron0.9-ON (fluorescent state)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Padron0.9, ...
Authors:Brakemann, T, Weber, G, Trowitzsch, S, Wahl, M.C, Jakobs, S.
Deposit date:2010-02-12
Release date:2010-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular basis of the light-driven switching of the photochromic fluorescent protein Padron.
J.Biol.Chem., 285, 2010
5IKD
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BU of 5ikd by Molmil
Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Romero, A, Davo-Siguero, I, Martinez, A.T.
Deposit date:2016-03-03
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.109 Å)
Cite:Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Catalysis Science And Technology, 2016
5JDT
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BU of 5jdt by Molmil
Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K
Descriptor: AZIDE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T.
Deposit date:2016-04-17
Release date:2016-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1 Å)
Cite:Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-ray Crystallography and Site-Directed Spin Labeling.
J.Am.Chem.Soc., 138, 2016
6RKY
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BU of 6rky by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE
Descriptor: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-04-30
Release date:2019-12-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
6RB0
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BU of 6rb0 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: EH1AB1, GLYCEROL, methyl hydrogen (R)-hexylphosphonate
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-04-08
Release date:2019-12-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
4KTD
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BU of 4ktd by Molmil
Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE136, from non-human primate
Descriptor: GE136 Heavy Chain Fab, GE136 Light Chain Fab, GLYCEROL, ...
Authors:Poulsen, C, Tran, K, Standfield, R, Wyatt, R.T.
Deposit date:2013-05-20
Release date:2014-02-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
4KTE
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BU of 4kte by Molmil
Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate
Descriptor: GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ...
Authors:Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T.
Deposit date:2013-05-20
Release date:2014-02-05
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
6SYL
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BU of 6syl by Molmil
STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BUTYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: Esterase, butoxy(hexyl)phosphinic acid
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-09-30
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Tuning the Properties of Natural Promiscuous Enzymes by Engineering Their Nano-environment.
Acs Nano, 14, 2020
6SXY
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BU of 6sxy by Molmil
STRUCTURE OF S192A-ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH METHYL (2S)-2-PHENYLPROPANOATE
Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-09-26
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure and evolutionary trace-assisted screening of a residue swapping the substrate ambiguity and chiral specificity in an esterase.
Comput Struct Biotechnol J, 19, 2021
6SYA
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BU of 6sya by Molmil
STRUCTURE OF S192A-ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH METHYL (2R)-2-PHENYLPROPANOATE
Descriptor: Esterase, GLYCEROL, methyl (2~{R})-2-phenylpropanoate
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2019-09-27
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure and evolutionary trace-assisted screening of a residue swapping the substrate ambiguity and chiral specificity in an esterase.
Comput Struct Biotechnol J, 19, 2021
6QXP
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BU of 6qxp by Molmil
Protein peptide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat extensin-like protein 2, ...
Authors:Moussu, S, Caroline, C, Santos-Fernandez, G, Wehrle, S, Grossniklaus, U, Santiago, J.
Deposit date:2019-03-07
Release date:2020-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth.
Proc.Natl.Acad.Sci.USA, 117, 2020
3SRV
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BU of 3srv by Molmil
Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor
Descriptor: 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK
Authors:Somers, D.O, Neu, M.
Deposit date:2011-07-07
Release date:2011-09-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
1W8K
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BU of 1w8k by Molmil
Crystal structure of apical membrane antigen 1 from Plasmodium vivax
Descriptor: APICAL MEMBRANE ANTIGEN 1, IMIDAZOLE
Authors:Pizarro, J.C, Vulliez-Le Normand, B, Chesne-Seck, M.-L, Kocken, C.H.M, Thomas, A.W, Bentley, G.A.
Deposit date:2004-09-23
Release date:2005-03-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Malaria Vaccine Candidate Apical Membrane Antigen 1
Science, 308, 2005
6UGN
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BU of 6ugn by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-205
Descriptor: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
Authors:Murray, A.B, Supuran, C.T, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6AVC
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BU of 6avc by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Potassium channel toxin alpha-KTx 1.5
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6AU7
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BU of 6au7 by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: GLYCEROL, Potassium channel toxin gamma-KTx 2.2, SULFATE ION
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-08-30
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6AVA
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BU of 6ava by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Insectotoxin-I1
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6ATN
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BU of 6atn by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Potassium channel toxin alpha-KTx 4.5
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-08-29
Release date:2018-02-28
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6AVD
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BU of 6avd by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Potassium channel toxin alpha-KTx 6.9, SULFATE ION
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
1W81
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BU of 1w81 by Molmil
Crystal structure of apical membrane antigen 1 from Plasmodium vivax
Descriptor: APICAL MEMBRANE ANTIGEN 1, IMIDAZOLE
Authors:Pizarro, J.C, Vulliez-Le Normand, B, Chesne-Seck, M.-L, Kocken, C.H.M, Thomas, A.W, Bentley, G.A.
Deposit date:2004-09-15
Release date:2005-03-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structure of the Malaria Vaccine Candidate Apical Membrane Antigen 1
Science, 308, 2005
6TEO
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BU of 6teo by Molmil
Crystal structure of a yeast Snu114-Prp8 complex
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Pre-mRNA-splicing factor 8, ...
Authors:Ganichkin, O, Jia, J, Loll, B, Absmeier, E, Wahl, M.C.
Deposit date:2019-11-12
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Snu114-GTP-Prp8 module forms a relay station for efficient splicing in yeast.
Nucleic Acids Res., 48, 2020
6BL0
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BU of 6bl0 by Molmil
Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with Cmpd11
Descriptor: (5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Jakob, C.G, Qiu, W.
Deposit date:2017-11-09
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
6QWN
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BU of 6qwn by Molmil
Protein peptide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Moussu, S, Caroline, C, Santos-Fernandez, G, Wehrle, S, Grossniklaus, U, Santiago, J.
Deposit date:2019-03-05
Release date:2020-03-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.892 Å)
Cite:Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth.
Proc.Natl.Acad.Sci.USA, 117, 2020
8SD1
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BU of 8sd1 by Molmil
Carbonic anhydrase II radiation damage RT 1-30
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.C, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8AYV
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BU of 8ayv by Molmil
Crystal structure of the Malonyl-ACP Decarboxylase MadB from Pseudomonas putida
Descriptor: YiiD_C domain-containing protein
Authors:Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E.
Deposit date:2022-09-03
Release date:2023-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.044 Å)
Cite:Initiation of fatty acid biosynthesis in Pseudomonas putida KT2440.
Metab Eng, 76, 2023

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数据于2024-07-24公开中

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