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8FX3
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BU of 8fx3 by Molmil
Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-GP, showing the structure of the complete active site in its open conformation
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER
Authors:Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
Deposit date:2023-01-23
Release date:2023-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FX2
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BU of 8fx2 by Molmil
Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-HP
Descriptor: (1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase
Authors:Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
Deposit date:2023-01-23
Release date:2023-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8EC4
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BU of 8ec4 by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 240ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-09-01
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EBI
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BU of 8ebi by Molmil
XFEL structure of beta lactamase microcrystals mixed with sulbactam solution for 15ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-08-31
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8ECF
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BU of 8ecf by Molmil
Cryo structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 hours
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-09-01
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.736 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EBR
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BU of 8ebr by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 30ms
Descriptor: Beta-lactamase, PHOSPHATE ION, SULBACTAM, ...
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-08-31
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
7B21
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BU of 7b21 by Molmil
The X183 domain from Cellvibrio japonicus Cbp2D
Descriptor: 1,2-ETHANEDIOL, Carbohydrate binding protein, putative, ...
Authors:Branch, J, Hemsworth, G.R.
Deposit date:2020-11-25
Release date:2021-07-21
Last modified:2021-09-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:C-type cytochrome-initiated reduction of bacterial lytic polysaccharide monooxygenases.
Biochem.J., 478, 2021
1FBT
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BU of 1fbt by Molmil
THE BISPHOSPHATASE DOMAIN OF THE BIFUNCTIONAL RAT LIVER 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE
Descriptor: FRUCTOSE-2,6-BISPHOSPHATASE, PHOSPHATE ION
Authors:Lee, Y.-H, Ogata, C, Pflugrath, J.W, Levitt, D.G, Sarma, R, Banaszak, L.J, Pilkis, S.J.
Deposit date:1996-03-08
Release date:1997-07-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the rat liver fructose-2,6-bisphosphatase based on selenomethionine multiwavelength anomalous dispersion phases.
Biochemistry, 35, 1996
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
Authors:Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
Deposit date:2018-09-22
Release date:2019-02-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
6MHR
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BU of 6mhr by Molmil
Structure of the human 4-1BB / Urelumab Fab complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ...
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-18
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
6MI2
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BU of 6mi2 by Molmil
Structure of the human 4-1BB / Utomilumab Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-19
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
6MGP
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BU of 6mgp by Molmil
Structure of human 4-1BB / 4-1BBL complex
Descriptor: ACETATE ION, GLYCEROL, Tumor necrosis factor ligand superfamily member 9, ...
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-14
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab
Nat Commun, 9, 2018
6MGE
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BU of 6mge by Molmil
Structure of human 4-1BBL
Descriptor: GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-13
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
7AEL
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BU of 7ael by Molmil
alpha 1-antitrypsin (C232S) complexed with GSK716
Descriptor: Alpha-1-antitrypsin, SULFATE ION, ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
Authors:Chung, C.
Deposit date:2020-09-17
Release date:2021-03-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Development of a small molecule that corrects misfolding and increases secretion of Z alpha 1 -antitrypsin.
Embo Mol Med, 13, 2021
3LE6
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BU of 3le6 by Molmil
The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor
Descriptor: 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2
Authors:Lukacs, C.M, Swain, A, Crowther, R.L, Kammlott, R.U, Liu, J.J.
Deposit date:2010-01-14
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6SL3
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BU of 6sl3 by Molmil
ALPHA-ACTININ FROM ENTAMOEBA HISTOLYTICA in orthorhombic space group
Descriptor: CALCIUM ION, Calponin homology domain protein putative
Authors:Pinotsis, N, Khan, M.B, Djinovic-Carugo, K.
Deposit date:2019-08-18
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
6SL7
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BU of 6sl7 by Molmil
The Delta Calcium mutant of ALPHA-ACTININ FROM ENTAMOEBA HISTOLYTICA
Descriptor: Calponin homology domain protein putative
Authors:Pinotsis, N, Lopez Arolas, A, Djinovic-Carugo, K.
Deposit date:2019-08-18
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NL6
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BU of 5nl6 by Molmil
The crystal structure of the two spectrin repeat domains from Entamoeba histolytica
Descriptor: BETA-MERCAPTOETHANOL, Calponin domain family protein
Authors:Pinotsis, N, Djinovic-Carugo, K, Khan, M.B.
Deposit date:2017-04-04
Release date:2018-05-16
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NL7
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BU of 5nl7 by Molmil
The crystal structure of the Actin Binding Domain (ABD) of alpha actinin from Entamoeba histolytica
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Calponin homology domain protein putative
Authors:Pinotsis, N, Djinovic-Carugo, K, Khan, M.B.
Deposit date:2017-04-04
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
6G9C
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BU of 6g9c by Molmil
Crystal structure of immunomodulatory active chitinase from Trichuris suis, TsES1
Descriptor: 1,2-ETHANEDIOL, Immunomodulatory active chitinase
Authors:Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U.
Deposit date:2018-04-10
Release date:2019-04-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease.
J Immunol Res, 2021, 2021
8FOX
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BU of 8fox by Molmil
AbeH (Tryptophan-5-halogenase)
Descriptor: SULFATE ION, Tryptophan 5-halogenase
Authors:Ashaduzzaman, M, Bellizzi, J.J.
Deposit date:2023-01-03
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
8FOV
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BU of 8fov by Molmil
AbeH (Tryptophan-5-halogenase) bound to FAD and Cl
Descriptor: ACETATE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ashaduzzaman, M, Bellizzi, J.J.
Deposit date:2023-01-03
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
1E3O
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BU of 1e3o by Molmil
Crystal structure of Oct-1 POU dimer bound to MORE
Descriptor: 5'-D(*AP*TP*GP*CP*AP*TP*GP*AP*GP*GP*A)-3', 5'-D(*TP*CP*CP*TP*CP*AP*TP*GP*CP*AP*T)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1
Authors:Remenyi, A, Tomilin, A, Pohl, E, Schoeler, H, Wilmanns, M.
Deposit date:2000-06-20
Release date:2001-11-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping
Mol.Cell, 8, 2001
6SL2
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BU of 6sl2 by Molmil
ALPHA-ACTININ FROM ENTAMOEBA HISTOLYTICA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Calponin homology domain protein putative, ...
Authors:Pinotsis, N, Khan, M.B, Djinovic-Carugo, K.
Deposit date:2019-08-18
Release date:2020-08-26
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
3NS7
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BU of 3ns7 by Molmil
Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1)
Descriptor: (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid, Caspase-1
Authors:Galatsis, P.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1).
Bioorg.Med.Chem.Lett., 20, 2010

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数据于2024-10-09公开中

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