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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
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
7YY5
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BU of 7yy5 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 9
Descriptor: 2-naphthalen-2-ylethanoic 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 (1.499 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
5MMA
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BU of 5mma by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ379 (compound 5'g)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
Authors:Maskell, D.P, Pye, V.E, Cherepanov, P.
Deposit date:2016-12-09
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017
5NO1
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BU of 5no1 by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ407 (compound 5g)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
Authors:Pye, V.E, Cherepanov, P.
Deposit date:2017-04-10
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017
3O6Z
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BU of 3o6z by Molmil
Structure of the D152A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Amzel, L.M, Gabelli, S.B, Boto, A.N.
Deposit date:2010-07-29
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
3POJ
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BU of 3poj by Molmil
Crystal structure of MASP-1 CUB2 domain bound to Ethylamine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ETHANAMINE, ...
Authors:Gingras, A.R, Moody, P.C.E, Wallis, R.
Deposit date:2010-11-22
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural Basis of Mannan-Binding Lectin Recognition by Its Associated Serine Protease MASP-1: Implications for Complement Activation.
Structure, 19, 2011
3POI
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BU of 3poi by Molmil
Crystal structure of MASP-1 CUB2 domain bound to Methylamine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, METHYLAMINE, ...
Authors:Gingras, A.R, Moody, P.C.E, Wallis, R.
Deposit date:2010-11-22
Release date:2011-08-24
Last modified:2011-11-30
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Structural Basis of Mannan-Binding Lectin Recognition by Its Associated Serine Protease MASP-1: Implications for Complement Activation.
Structure, 19, 2011
1N8S
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BU of 1n8s by Molmil
Structure of the pancreatic lipase-colipase complex
Descriptor: Triacylglycerol lipase, pancreatic, colipase II
Authors:van Tilbeurgh, H, Sarda, L, Verger, R, Cambillau, C.
Deposit date:2002-11-21
Release date:2002-12-18
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure of the pancreatic lipase-procolipase complex
Nature, 359, 1992
3POF
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BU of 3pof by Molmil
Crystal structure of MASP-1 CUB2 domain bound to Ca2+
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Mannan-binding lectin serine protease 1, ...
Authors:Gingras, A.R, Moody, P.C.E, Wallis, R.
Deposit date:2010-11-22
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structural Basis of Mannan-Binding Lectin Recognition by Its Associated Serine Protease MASP-1: Implications for Complement Activation.
Structure, 19, 2011
3RJA
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BU of 3rja by Molmil
Crystal structure of carbohydrate oxidase from Microdochium nivale in complex with substrate analogue
Descriptor: (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duskova, J, Skalova, T, Kolenko, P, Stepankova, A, Koval, T, Hasek, J, Ostergaard, L.H, Fuglsang, C.C, Dohnalek, J.
Deposit date:2011-04-15
Release date:2012-04-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and kinetic studies of carbohydrate oxidase from Microdochium nivale
To be Published
3FL3
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BU of 3fl3 by Molmil
X-ray structure of the ligand free non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease
Descriptor: Ribonuclease pancreatic, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F.
Deposit date:2008-12-18
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants
Biopolymers, 91, 2009
3FL1
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BU of 3fl1 by Molmil
X-ray structure of the non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease in complex with 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE
Descriptor: 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE, Ribonuclease pancreatic, SULFATE ION, ...
Authors:Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F.
Deposit date:2008-12-18
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants
Biopolymers, 91, 2009
3SNG
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BU of 3sng by Molmil
X-ray structure of fully glycosylated bifunctional nuclease TBN1 from Solanum lycopersicum (Tomato)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Koval, T, Stepankova, A, Lipovova, P, Podzimek, T, Matousek, J, Duskova, J, Skalova, T, Hasek, J, Dohnalek, J.
Deposit date:2011-06-29
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Plant multifunctional nuclease TBN1 with unexpected phospholipase activity: structural study and reaction-mechanism analysis.
Acta Crystallogr.,Sect.D, 69, 2013
3UO0
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BU of 3uo0 by Molmil
phosphorylated Bacillus cereus phosphopentomutase soaked with glucose 1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, ...
Authors:Iverson, T.M, Birmingham, W.R, Panosian, T.D, Nannemann, D.P, Bachmann, B.O.
Deposit date:2011-11-16
Release date:2012-02-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Differences between a Mutase and a Phosphatase: Investigations of the Activation Step in Bacillus cereus Phosphopentomutase.
Biochemistry, 51, 2012
5ELZ
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BU of 5elz by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Mottaghi, K, Hughes, S.J, Tempel, W, Hong, B, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2015-11-05
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
Acs Infect Dis., 2, 2016
7M3J
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BU of 7m3j by Molmil
Asymmetric Activation of the Calcium Sensing Receptor Homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, ...
Authors:Gao, Y, Robertson, M.J, Zhang, C, Meyerowitz, J.G, Panova, O, Skiniotis, G.
Deposit date:2021-03-18
Release date:2021-06-30
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Asymmetric activation of the calcium-sensing receptor homodimer.
Nature, 595, 2021
7M3E
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BU of 7m3e by Molmil
Asymmetric Activation of the Calcium Sensing Receptor Homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, ...
Authors:Gao, Y, Robertson, M.J, Zhang, C, Meyerowitz, J.G, Panova, O, Skiniotis, G.
Deposit date:2021-03-18
Release date:2021-06-30
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Asymmetric activation of the calcium-sensing receptor homodimer.
Nature, 595, 2021
7M3F
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BU of 7m3f by Molmil
Asymmetric Activation of the Calcium Sensing Receptor Homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Gao, Y, Robertson, M.J, Zhang, C, Meyerowitz, J.G, Panova, O, Skiniotis, G.
Deposit date:2021-03-18
Release date:2021-06-30
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Asymmetric activation of the calcium-sensing receptor homodimer.
Nature, 595, 2021
2Z9C
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BU of 2z9c by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: AzoR in complex with dicoumarol
Descriptor: BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase, ...
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
3RX6
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BU of 3rx6 by Molmil
Crystal structure of Polarity Suppression protein from Enterobacteria phage P4
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, MERCURY (II) ION, ...
Authors:Banerjee, R, Nath, S, Khamrui, S, Sen, R, Sen, U.
Deposit date:2011-05-10
Release date:2012-07-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.039 Å)
Cite:The first structure of polarity suppression protein, Psu from enterobacteria phage P4, reveals a novel fold and a knotted dimer
J.Biol.Chem., 287, 2012
7YMG
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BU of 7ymg by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 2-({3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}amino)-3-(1H-indol-3-yl)propan-1-ol
Descriptor: (2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol, Bromodomain-containing protein 4, FORMIC ACID, ...
Authors:Kim, J.H, Lee, B.I.
Deposit date:2022-07-28
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study.
Sci Rep, 13, 2023
2QCA
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BU of 2qca by Molmil
A New Crystal Form of Bovine Pancreatic RNase A in Complex with 2'-Deoxyguanosine-5'-monophosphate
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic
Authors:Larson, S.B, Day, J.S, Cudney, R, McPherson, A, Center for High-Throughput Structural Biology (CHTSB)
Deposit date:2007-06-19
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A new crystal form of bovine pancreatic RNase A in complex with 2'-deoxyguanosine-5'-monophosphate.
Acta Crystallogr.,Sect.F, 63, 2007
1WO2
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BU of 1wo2 by Molmil
Crystal structure of the pig pancreatic alpha-amylase complexed with malto-oligosaacharides under the effect of the chloride ion
Descriptor: 1,2-ETHANEDIOL, Alpha-amylase, pancreatic, ...
Authors:Qian, M, Payan, F, Nahoum, V.
Deposit date:2004-08-11
Release date:2005-03-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Molecular Basis of the Effects of Chloride Ion on the Acid-Base Catalyst in the Mechanism of Pancreatic alpha-Amylase
Biochemistry, 44, 2005
8A5W
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BU of 8a5w by Molmil
Crystal structure of the human phosphoserine aminotransferase (PSAT) in complex with O-phosphoserine
Descriptor: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, PHOSPHOSERINE, ...
Authors:Costanzi, E, Demitri, N, Ullah, R, Marchesan, F, Peracchi, A, Zangelmi, E, Storici, P, Campanini, B.
Deposit date:2022-06-16
Release date:2023-03-29
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase.
Protein Sci., 32, 2023

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