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7YY7
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BU of 7yy7 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 11
Descriptor: 3-hydroxynaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY8
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BU of 7yy8 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 12
Descriptor: (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, 3-(INDOL-3-YL) LACTATE, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.516 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY4
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BU of 7yy4 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 8
Descriptor: 6-fluoranylnaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.671 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YYA
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BU of 7yya by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 14
Descriptor: 3-indol-1-ylpropanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YXZ
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BU of 7yxz by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Coenzyme A
Descriptor: COENZYME A, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YWT
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BU of 7ywt by Molmil
human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
Descriptor: (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-02-14
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.106 Å)
Cite:Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
7YZH
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BU of 7yzh by Molmil
Schistosoma Mansoni Carbonic Anhydrase in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-02-20
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
5UDE
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BU of 5ude by Molmil
Crystal Structure of RSV F B9320 DS-Cav1
Descriptor: Fusion glycoprotein F0, SULFATE ION
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
6QMH
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BU of 6qmh by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 3-(1H-indol-3-yl)propanoic acid at 1.6A resolution.
Descriptor: 5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Blaszczyk, M, Blundell, T.L.
Deposit date:2019-02-07
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
6QMG
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BU of 6qmg by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution.
Descriptor: INDOLYLPROPIONIC ACID, Phosphopantetheine adenylyltransferase
Authors:Blaszczyk, M, Blundell, T.L.
Deposit date:2019-02-07
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
6QMI
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BU of 6qmi by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 3-(1H-indol-1-yl)propanoic acid at 1.7A resolution.
Descriptor: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Blaszczyk, M, Blundell, T.L.
Deposit date:2019-02-07
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
6QMF
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BU of 6qmf by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 5-[3-(1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution.
Descriptor: 3-indol-1-ylpropanoic acid, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase
Authors:Blaszczyk, M, Blundell, T.L.
Deposit date:2019-02-07
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
8OFI
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BU of 8ofi by Molmil
Ivabradine bound to HCN4 channel
Descriptor: Ivabradine, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Authors:Saponaro, A, Chaves-Sanjuan, A, Sharifzadeh, A.S, Clarke, O.B, Marabelli, C, Bolognesi, M, Thiel, G, Moroni, A.
Deposit date:2023-03-15
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural determinants of ivabradine block of the open pore of HCN4.
Proc.Natl.Acad.Sci.USA, 121, 2024
5I04
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BU of 5i04 by Molmil
Crystal structure of the orphan region of human endoglin/CD105
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Endoglin, TRIETHYLENE GLYCOL, ...
Authors:Saito, T, Bokhove, M, de Sanctis, D, Jovine, L.
Deposit date:2016-02-03
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
3KMB
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BU of 3kmb by Molmil
COMPLEX OF 3'-SULFO-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A
Descriptor: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A, ...
Authors:Ng, K.K.-S, Weis, W.I.
Deposit date:1996-11-07
Release date:1997-02-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides.
Biochemistry, 36, 1997
5JZD
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BU of 5jzd by Molmil
A re-refinement of the isochorismate synthase EntC
Descriptor: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, MAGNESIUM ION
Authors:Meneely, K.M, Lamb, A.L.
Deposit date:2016-05-16
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
2IVZ
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BU of 2ivz by Molmil
Structure of TolB in complex with a peptide of the colicin E9 T- domain
Descriptor: CALCIUM ION, COLICIN-E9, PROTEIN TOLB
Authors:Loftus, S.R, Walker, D, Mate, M.J, Bonsor, D.A, James, R, Moore, G.R, Kleanthous, C.
Deposit date:2006-06-23
Release date:2006-08-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Competitive Recruitment of the Periplasmic Translocation Portal Tolb by a Natively Disordered Domain of Colicin E9
Proc.Natl.Acad.Sci.USA, 103, 2006
5JFG
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BU of 5jfg by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, DNA repair and recombination protein RadA, ...
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-19
Release date:2016-10-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Humanisation of RadA from Pyrococcus furiosus
To Be Published
4KMB
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BU of 4kmb by Molmil
COMPLEX OF 4'-SULFO-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A
Descriptor: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A, ...
Authors:Ng, K.K.-S, Weis, W.I.
Deposit date:1996-11-07
Release date:1997-02-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides.
Biochemistry, 36, 1997
5HZW
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BU of 5hzw by Molmil
Crystal structure of the orphan region of human endoglin/CD105 in complex with BMP9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Growth/differentiation factor 2, Maltose-binding periplasmic protein,Endoglin, ...
Authors:Bokhove, M, Saito, T, Jovine, L.
Deposit date:2016-02-03
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.451 Å)
Cite:Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
1B6F
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BU of 1b6f by Molmil
BIRCH POLLEN ALLERGEN BET V 1
Descriptor: PROTEIN (MAJOR POLLEN ALLERGEN BET V 1-A)
Authors:Schweimer, K, Sticht, H, Boehm, M, Roesch, P.
Deposit date:1999-01-13
Release date:2000-01-17
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR Spectroscopy Reveals Common Structural Features of the Birch Pollen Allergen Bet v 1 and the cherry allergen Pru a 1
APPL.MAGN.RESON., 17, 1999
6MJY
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BU of 6mjy by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP
Descriptor: 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-09-23
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).
Bioorg.Med.Chem.Lett., 30, 2020
6NMC
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BU of 6nmc by Molmil
CryoEM structure of the LbCas12a-crRNA-2xAcrVA1 complex
Descriptor: AcrVA1, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
2NAO
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BU of 2nao by Molmil
Atomic resolution structure of a disease-relevant Abeta(1-42) amyloid fibril
Descriptor: Beta-amyloid protein 42
Authors:Waelti, M.A, Ravotti, F, Arai, H, Glabe, C, Wall, J, Bockmann, A, Guntert, P, Meier, B.H, Riek, R.
Deposit date:2016-01-07
Release date:2016-07-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Atomic-resolution structure of a disease-relevant A beta (1-42) amyloid fibril.
Proc.Natl.Acad.Sci.USA, 113, 2016
5OU1
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BU of 5ou1 by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844)
Descriptor: (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2017-08-23
Release date:2018-03-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018

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PDB entries from 2024-09-11

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