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5SB6
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BU of 5sb6 by Molmil
Tubulin-todalam-10-complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2021-07-08
Release date:2022-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action.
Angew.Chem.Int.Ed.Engl., 61, 2022
5SB3
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BU of 5sb3 by Molmil
Tubulin-todalam-4-complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2021-07-08
Release date:2022-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action.
Angew.Chem.Int.Ed.Engl., 61, 2022
5SB5
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BU of 5sb5 by Molmil
Tubulin-todalam-9-complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2021-07-08
Release date:2022-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action.
Angew.Chem.Int.Ed.Engl., 61, 2022
5SB4
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BU of 5sb4 by Molmil
Tubulin-todalam-8-complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2021-07-08
Release date:2022-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action.
Angew.Chem.Int.Ed.Engl., 61, 2022
1SPJ
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BU of 1spj by Molmil
STRUCTURE OF MATURE HUMAN TISSUE KALLIKREIN (HUMAN KALLIKREIN 1 OR KLK1) AT 1.70 ANGSTROM RESOLUTION WITH VACANT ACTIVE SITE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CALCIUM ION, ...
Authors:Laxmikanthan, G, Blaber, S.I, Bernett, M.J, Blaber, M.
Deposit date:2004-03-16
Release date:2005-01-25
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1.70 A X-ray structure of human apo kallikrein 1: Structural changes upon peptide inhibitor/substrate binding
Proteins, 58, 2005
7ZHT
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BU of 7zht by Molmil
Leishmania donovani Glucose 6-Phosphate Dehydrogenase apo form
Descriptor: 1,2-ETHANEDIOL, Glucose-6-phosphate 1-dehydrogenase, SULFATE ION
Authors:Fritz-Wolf, K, Berneburg, I.
Deposit date:2022-04-07
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Leishmania donovani glucose 6-phosphate dehydrogenase reveals a unique N-terminal domain.
Commun Biol, 5, 2022
5SA2
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BU of 5sa2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1148747945
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
7ZHY
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BU of 7zhy by Molmil
Leishmania donovani Glucose 6-Phosphate Dehydrogenase C138S mutant complexed with NADP(H)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glucose-6-phosphate 1-dehydrogenase, ...
Authors:Fritz-Wolf, K, Berneburg, I.
Deposit date:2022-04-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of Leishmania donovani glucose 6-phosphate dehydrogenase reveals a unique N-terminal domain.
Commun Biol, 5, 2022
5S9V
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BU of 5s9v by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434826
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9X
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BU of 5s9x by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1899842917
Descriptor: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
1I2T
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BU of 1i2t by Molmil
X-RAY STRUCTURE OF THE HUMAN HYPERPLASTIC DISCS PROTEIN: AN ORTHOLOG OF THE C-TERMINAL DOMAIN OF POLY(A)-BINDING PROTEIN
Descriptor: HYD PROTEIN
Authors:Deo, R.C, Sonenberg, N, Burley, S.K.
Deposit date:2001-02-12
Release date:2001-04-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:X-ray structure of the human hyperplastic discs protein: an ortholog of the C-terminal domain of poly(A)-binding protein.
Proc.Natl.Acad.Sci.USA, 98, 2001
5SA0
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BU of 5sa0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1506050651
Descriptor: (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
8FXT
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BU of 8fxt by Molmil
Escherichia coli periplasmic Glucose-Binding Protein glucose complex: Acrylodan conjugate attached at W183C
Descriptor: 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one, CALCIUM ION, D-galactose/methyl-galactoside binding periplasmic protein MglB, ...
Authors:Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W.
Deposit date:2023-01-25
Release date:2023-08-30
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
5SA3
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BU of 5sa3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434874
Descriptor: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
8CKN
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BU of 8ckn by Molmil
Cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Selvam, I.R.
Deposit date:2023-02-16
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:1.54 Angstrom structure of cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis
To Be Published
8FXU
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BU of 8fxu by Molmil
Thermoanaerobacter thermosaccharolyticum periplasmic Glucose-Binding Protein glucose complex: Badan conjugate attached at F17C
Descriptor: 2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one, CALCIUM ION, CHLORIDE ION, ...
Authors:Allert, M.J, Kumar, S, Beese, L.S, Hellinga, H.W.
Deposit date:2023-01-25
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
5S9U
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BU of 5s9u by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z32327641
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
3MBW
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BU of 3mbw by Molmil
Crystal structure of the human ephrin A2 LBD and CRD domains in complex with ephrin A1
Descriptor: Ephrin type-A receptor 2, Ephrin-A1, UNKNOWN ATOM OR ION, ...
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2010-03-26
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
1I35
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BU of 1i35 by Molmil
SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF THE PROTEIN KINASE BYR2 FROM SCHIZOSACCHAROMYCES POMBE
Descriptor: PROTEIN KINASE BYR2
Authors:Gronwald, W, Huber, F, Grunewald, P, Sporner, M, Wohlgemuth, S, Herrmann, C, Kalbitzer, H.R.
Deposit date:2001-02-13
Release date:2001-12-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the Ras binding domain of the protein kinase Byr2 from Schizosaccharomyces pombe.
Structure, 9, 2001
5S9W
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BU of 5s9w by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z26769872
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SA1
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BU of 5sa1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434944
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
7PXB
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BU of 7pxb by Molmil
Substrate-engaged mycobacterial Proteasome-associated ATPase - focused 3D refinement (state B)
Descriptor: AAA ATPase forming ring-shaped complexes, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Jomaa, A, Kavalchuk, M, Weber-Ban, E.
Deposit date:2021-10-08
Release date:2022-01-19
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Nat Commun, 13, 2022
7ZHV
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BU of 7zhv by Molmil
Leishmania donovani Glucose 6-Phosphate Dehydrogenase complexed with Glucose 6-Phosphate
Descriptor: 6-O-phosphono-beta-D-glucopyranose, Glucose-6-phosphate 1-dehydrogenase, SULFATE ION
Authors:Fritz-Wolf, K, Berneburg, I.
Deposit date:2022-04-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of Leishmania donovani glucose 6-phosphate dehydrogenase reveals a unique N-terminal domain.
Commun Biol, 5, 2022
5S9T
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BU of 5s9t by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1614545742
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9Z
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BU of 5s9z by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434884
Descriptor: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022

222624

數據於2024-07-17公開中

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