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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
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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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
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
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
7M3J
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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
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
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
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
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
Descriptor: Mitochondrial import receptor subunit TOM70, ORF9b protein
Authors:QCRG Structural Biology Consortium
Deposit date:2020-10-09
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
1BPI
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BU of 1bpi by Molmil
THE STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR AT 125K: DEFINITION OF CARBOXYL-TERMINAL RESIDUES GLYCINE-57 AND ALANINE-58
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Parkin, S, Rupp, B, Hope, H.
Deposit date:1995-02-18
Release date:1995-06-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structure of bovine pancreatic trypsin inhibitor at 125 K definition of carboxyl-terminal residues Gly57 and Ala58.
Acta Crystallogr.,Sect.D, 52, 1996
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
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
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
9EQH
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BU of 9eqh by Molmil
WWP2 WW2-2,3-linker-HECT (WWP2-LH)
Descriptor: GLYCEROL, Isoform 2 of NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION
Authors:Dudey, A.P, Hemmings, A.M.
Deposit date:2024-03-21
Release date:2024-05-15
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Expanding the inhibitor space of the WWP1 and WWP2 HECT E3 ligases.
J Enzyme Inhib Med Chem, 39, 2024
1UA3
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BU of 1ua3 by Molmil
Crystal structure of the pig pancreatic a-amylase complexed with malto-oligosaccharides
Descriptor: 1,2-ETHANEDIOL, Alpha-amylase, pancreatic, ...
Authors:Payan, F, Qian, M.
Deposit date:2003-02-27
Release date:2003-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structure of the Pig Pancreatic alpha-Amylase Complexed with Malto-Oligosaccharides
J.PROTEIN CHEM., 22, 2003
1BU8
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BU of 1bu8 by Molmil
RAT PANCREATIC LIPASE RELATED PROTEIN 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (PANCREATIC LIPASE RELATED PROTEIN 2)
Authors:Roussel, A, Cambillau, C.
Deposit date:1998-09-14
Release date:1998-12-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and activity of rat pancreatic lipase-related protein 2.
J.Biol.Chem., 273, 1998
1HNY
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BU of 1hny by Molmil
The structure of human pancreatic alpha-amylase at 1.8 angstroms resolution and comparisons with related enzymes
Descriptor: CALCIUM ION, CHLORIDE ION, HUMAN PANCREATIC ALPHA-AMYLASE
Authors:Luo, Y, Brayer, G.D.
Deposit date:1995-06-28
Release date:1996-03-08
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of human pancreatic alpha-amylase at 1.8 A resolution and comparisons with related enzymes.
Protein Sci., 4, 1995
3CPU
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BU of 3cpu by Molmil
SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT
Descriptor: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ...
Authors:Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G.
Deposit date:1999-06-08
Release date:2001-06-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques.
Biochemistry, 39, 2000
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7Z0F
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BU of 7z0f by Molmil
CPAP:S-TUBULIN:IIH5 ALPHAREP COMPLEX
Descriptor: Centromere protein J, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gigant, B, Campanacci, V.
Deposit date:2022-02-22
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
1KXV
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BU of 1kxv by Molmil
Camelid VHH Domains in Complex with Porcine Pancreatic alpha-Amylase
Descriptor: ALPHA-AMYLASE, PANCREATIC, CAMELID VHH DOMAIN CAB10
Authors:Desmyter, A, Spinelli, S, Payan, F, Lauwereys, M, Wyns, L, Muyldermans, S, Cambillau, C.
Deposit date:2002-02-01
Release date:2002-06-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Three camelid VHH domains in complex with porcine pancreatic alpha-amylase. Inhibition and versatility of binding topology.
J.Biol.Chem., 277, 2002
6HB7
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BU of 6hb7 by Molmil
Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-N3-methyluridine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine--tRNA ligase, ...
Authors:De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2018-08-09
Release date:2019-04-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019

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