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7CLK
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BU of 7clk by Molmil
Mycobacterium tuberculosis enolase in complex with alternate 2-phosphoglycerate
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
Authors:Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K.
Deposit date:2020-07-21
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7E4F
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BU of 7e4f by Molmil
Mycobacterium tuberculosis enolase mutant - E204A complex with phosphoenolpyruvate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ahmad, M, Pal, R.K, Biswal, B.K.
Deposit date:2021-02-11
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
6L7D
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BU of 6l7d by Molmil
Mycobacterium tuberculosis enolase mutant - S42A
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
Authors:Ahmad, M, Jha, B, Tiwari, S, Dwivedy, A, Biswal, B.K.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7CKP
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BU of 7ckp by Molmil
Mycobacterium tuberculosis Enolase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Enolase, MAGNESIUM ION
Authors:Biswal, B.K, Ahmad, M, Jha, B.
Deposit date:2020-07-18
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7DLR
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BU of 7dlr by Molmil
Mycobacterium tuberculosis enolase mutant - E163A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Ahmad, M, Biswal, B.K.
Deposit date:2020-11-30
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7E51
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BU of 7e51 by Molmil
Structure of PEP bound Enolase from Mycobacterium tuberculosis
Descriptor: Enolase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE
Authors:Bose, S, Vinothkumar, K.R.
Deposit date:2021-02-16
Release date:2022-02-16
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7E4X
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BU of 7e4x by Molmil
Structure of Enolase from Mycobacterium tuberculosis
Descriptor: Enolase
Authors:Bose, S, Vinothkumar, K.R.
Deposit date:2021-02-15
Release date:2022-02-16
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
5Y8X
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BU of 5y8x by Molmil
Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Kumari, S, Goel, M, Pal, R, Gupta, R.
Deposit date:2017-08-21
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine
To Be Published
5XLU
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BU of 5xlu by Molmil
High Resolution Crystal Structure of Bacillus Licheniformis Gamma Glutamyl Transpeptidase with Acivicin
Descriptor: (2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Kumari, S, Goel, M, Gupta, R, Pal, R.
Deposit date:2017-05-11
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High Resolution Crystal Structure of Bacillus Licheniformis Gamma Glutamyl Transpeptidase with Acivicin
To Be Published
4WXR
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BU of 4wxr by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound inhibitor at 2.42 A resolution
Descriptor: NS3, {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid
Authors:Davies, D.R, Kim, H, Lorimer, D.
Deposit date:2014-11-14
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:crystal structure of NS3 Helicase from HCV with a bound inhibitor
TO BE PUBLISHED
4TVO
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BU of 4tvo by Molmil
Structure of Malate Dehydrogenase from Mycobacterium tuberculosis
Descriptor: Malate dehydrogenase, SODIUM ION, SULFATE ION
Authors:Ferraris, D.M, Rizzi, M.
Deposit date:2014-06-27
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of citrate synthase and malate dehydrogenase of Mycobacterium tuberculosis.
Proteins, 83, 2015
7SP3
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BU of 7sp3 by Molmil
E. coli RppH bound to Ap4A
Descriptor: BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ...
Authors:Serganov, A.A, Vasilyev, N, Nuthanakanti, A.
Deposit date:2021-11-02
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A distinct RNA recognition mechanism governs Np 4 decapping by RppH.
Proc.Natl.Acad.Sci.USA, 119, 2022
1D5M
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BU of 1d5m by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDE AND SEB
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Swain, A.L, Crowther, R, Kammlott, U.
Deposit date:1999-10-07
Release date:2000-06-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
1D5X
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BU of 1d5x by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE MIMETIC AND SEB
Descriptor: DIPEPTIDE MIMETIC INHIBITOR, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN
Authors:Swain, A, Crowther, R, Kammlott, U.
Deposit date:1999-10-12
Release date:2000-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
1D5Z
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BU of 1d5z by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB
Descriptor: PROTEIN (ENTEROTOXIN TYPE B), PROTEIN (HLA CLASS II HISTOCOMPATIBILITY ANTIGEN), PROTEIN (PEPTIDOMIMETIC INHIBITOR)
Authors:Swain, A, Crowther, R, Kammlott, U.
Deposit date:1999-10-12
Release date:2000-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
1D6E
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BU of 1d6e by Molmil
CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB
Descriptor: ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR
Authors:Swain, A, Crowther, R, Kammlott, U.
Deposit date:1999-10-13
Release date:2000-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
6WNU
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BU of 6wnu by Molmil
Crystal structure of the three-domain cyclomaltodextrin glucanotransferase CldA in the monomeric form
Descriptor: ACETATE ION, CALCIUM ION, Cyclomaltodextrin glucanotransferase, ...
Authors:Magana-Cuevas, E, Centeno-Leija, S, Serrano-Posada, H.
Deposit date:2020-04-23
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery of a novel group of three-domain thermophilic cyclomaltodextrin glucanotransferases: structural and functional implications.
To Be Published
6WNI
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BU of 6wni by Molmil
Crystal structure of CldA, the first cyclomaltodextrin glucanotransferase with a three-domain ABC distribution
Descriptor: CALCIUM ION, CITRATE ANION, Cyclomaltodextrin glucanotransferase, ...
Authors:Magana-Cuevas, E, Centeno-Leija, S, Serrano-Posada, H.
Deposit date:2020-04-22
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of a novel group of three-domain thermophilic cyclomaltodextrin glucanotransferases: structural and functional implications.
To Be Published
6D1V
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BU of 6d1v by Molmil
Crystal structure of E. coli RppH-DapF complex, monomer bound to RNA
Descriptor: CHLORIDE ION, Diaminopimelate epimerase, GLYCEROL, ...
Authors:Gao, A, Serganov, A.
Deposit date:2018-04-12
Release date:2018-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF.
Nucleic Acids Res., 46, 2018
6D13
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BU of 6d13 by Molmil
Crystal structure of E.coli RppH-DapF complex
Descriptor: CHLORIDE ION, Diaminopimelate epimerase, IODIDE ION, ...
Authors:Gao, A, Serganov, A.
Deposit date:2018-04-11
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF.
Nucleic Acids Res., 46, 2018
6D1Q
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BU of 6d1q by Molmil
Crystal structure of E. coli RppH-DapF complex, monomer
Descriptor: CHLORIDE ION, Diaminopimelate epimerase, GLYCEROL, ...
Authors:Gao, A, Serganov, A.
Deposit date:2018-04-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF.
Nucleic Acids Res., 46, 2018
4EJN
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BU of 4ejn by Molmil
Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide
Descriptor: 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ...
Authors:Eathiraj, S.
Deposit date:2012-04-06
Release date:2012-05-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
3H98
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BU of 3h98 by Molmil
Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative
Descriptor: GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L.
Deposit date:2009-04-30
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives.
Bioorg.Med.Chem.Lett., 19, 2009
6CDX
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BU of 6cdx by Molmil
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
Descriptor: cystine knot (fluoropropylated)
Authors:Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V.
Deposit date:2018-02-09
Release date:2019-08-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1 Å)
Cite:Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
5JLJ
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BU of 5jlj by Molmil
Crystal Structure of KPT8602 in complex with CRM1-Ran-RanBP1
Descriptor: (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, CHLORIDE ION, Exportin-1, ...
Authors:Fung, H.Y, Chook, Y.M.
Deposit date:2016-04-27
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Next-generation XPO1 inhibitor shows improved efficacy and in vivo tolerability in hematological malignancies.
Leukemia, 30, 2016

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數據於2024-10-16公開中

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