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8TQS
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BU of 8tqs by Molmil
Complex of human thrombin (S195A) bound to a bivalent inhibitor comprised of DNA Aptamer HD22 conjugated to Dabigatran with a linker.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (30-MER), ...
Authors:Krishnaswamy, S, Kumar, S.
Deposit date:2023-08-08
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Aptameric hirudins as selective and reversible EXosite-ACTive site (EXACT) inhibitors.
Nat Commun, 15, 2024
6JEY
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BU of 6jey by Molmil
Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD
Descriptor: (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Yamamoto, K, Itoh, T.
Deposit date:2019-02-07
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
2PS8
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BU of 2ps8 by Molmil
Y295F Trichodiene Synthase: Complex With Mg and Pyrophosphate
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Vedula, L.S, Cane, D.E, Christianson, D.W.
Deposit date:2007-05-04
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif.
Arch.Biochem.Biophys., 469, 2008
8OY0
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BU of 8oy0 by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Acinetobacter baumanii
Descriptor: ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, GLYCEROL, ...
Authors:Alphey, M.S, Read, B, da Silva, R.G.
Deposit date:2023-05-03
Release date:2023-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure, Steady-State, and Pre-Steady-State Kinetics of Acinetobacter baumannii ATP Phosphoribosyltransferase.
Biochemistry, 63, 2024
1G86
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BU of 1g86 by Molmil
CHARCOT-LEYDEN CRYSTAL PROTEIN/N-ETHYLMALEIMIDE COMPLEX
Descriptor: CHARCOT-LEYDEN CRYSTAL PROTEIN, N-ETHYLMALEIMIDE
Authors:Ackerman, S.J, Liu, L, Kwatia, M.A, Savage, M.P, Leonidas, D.D, Swaminathan, G.J, Acharya, K.R.
Deposit date:2000-11-16
Release date:2002-06-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Charcot-Leyden crystal protein (galectin-10) is not a dual function galectin with lysophospholipase activity but binds a lysophospholipase inhibitor in a novel structural fashion.
J.Biol.Chem., 277, 2002
1E7Y
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BU of 1e7y by Molmil
ACTIVE SITE MUTANT (D177->N) OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES COMPLEXED WITH SUBSTRATE AND NADPH
Descriptor: 6-O-phosphono-beta-D-glucopyranose, CALCIUM ION, GLUCOSE 6-PHOSPHATE 1-DEHYDROGENASE, ...
Authors:Adams, M.J, Cosgrove, M.S, Gover, S.
Deposit date:2000-09-12
Release date:2000-12-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:An Examination of the Role of Asp-177 in the His-Asp Catalytic Dyad of Leuconostoc Mesenteroides Glucose 6-Phosphate Dehydrogenase: X-Ray Structure and Ph Dependence of Kinetic Parameters of the D177N Mutant Enzyme
Biochemistry, 39, 2000
6SZE
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BU of 6sze by Molmil
RIP2 Kinase Catalytic Domain complex with 5-Amino-1-Phenylpyrazole-4-Carboxamide.
Descriptor: 5-Amino-1-Phenylpyrazole-4-Carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
Authors:Convery, M.A, Charnley, A.K, Shewchuk, L.
Deposit date:2019-10-02
Release date:2019-10-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
2BFK
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BU of 2bfk by Molmil
Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent
Descriptor: AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ...
Authors:Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M.
Deposit date:2004-12-07
Release date:2005-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
1WR3
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BU of 1wr3 by Molmil
Solution structure of the first WW domain of Nedd4-2
Descriptor: ubiquitin-protein ligase Nedd4-2
Authors:Kowalski, K, Merkel, A.L, Booker, G.W.
Deposit date:2004-10-11
Release date:2005-10-18
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures of WW domains of Nedd4-2
To be Published
2RQZ
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BU of 2rqz by Molmil
Structure of sugar modified epidermal growth factor-like repeat 12 of mouse Notch-1 receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose, Neurogenic locus notch homolog protein 1
Authors:Shimizu, K, Fujitani, N, Hosoguchi, K, Nishimura, S.
Deposit date:2010-02-26
Release date:2010-10-13
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor
J.Am.Chem.Soc., 132, 2010
2BG6
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BU of 2bg6 by Molmil
Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized.
Descriptor: AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ...
Authors:Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M.
Deposit date:2004-12-17
Release date:2005-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
2SHP
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BU of 2shp by Molmil
TYROSINE PHOSPHATASE SHP-2
Descriptor: DODECANE-TRIMETHYLAMINE, SHP-2
Authors:Hof, P, Pluskey, S, Dhe-Paganon, S, Eck, M.J, Shoelson, S.E.
Deposit date:1997-12-01
Release date:1999-02-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2.
Cell(Cambridge,Mass.), 92, 1998
8QLL
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BU of 8qll by Molmil
Crystal structure of rat glutathione transferase Omega 1 bound to glutathione
Descriptor: GLUTATHIONE, Glutathione S-transferase omega-1
Authors:Schwartz, M, Neiers, F.
Deposit date:2023-09-20
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rattus norvegicus Glutathione Transferase Omega 1 Localization in Oral Tissues and Interactions with Food Phytochemicals.
J.Agric.Food Chem., 72, 2024
2B0L
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BU of 2b0l by Molmil
C-terminal DNA binding domain of transcriptional pleiotropic repressor CodY.
Descriptor: GTP-sensing transcriptional pleiotropic repressor codY
Authors:Levdikov, V.M, Blagova, E, Joseph, P, Sonenshein, A.L, Wilkinson, A.J.
Deposit date:2005-09-14
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Structure of CodY, a GTP- and Isoleucine-responsive Regulator of Stationary Phase and Virulence in Gram-positive Bacteria.
J.Biol.Chem., 281, 2006
1J7B
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BU of 1j7b by Molmil
STRUCTURE OF THE ANABAENA FERREDOXIN MUTANT E94K
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I
Authors:Hurley, J.K, Weber-Main, A.M, Stankovich, M.T, Benning, M.M, Thoden, J.B, Vanhooke, J.L, Holden, H.M, Chae, Y.K, Xia, B, Cheng, H, Markley, J.L, Martinez-Julvez, M, Gomez-Moreno, C, Schmeits, J.L, Tollin, G.
Deposit date:2001-05-16
Release date:2001-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
1CIY
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BU of 1ciy by Molmil
INSECTICIDAL TOXIN: STRUCTURE AND CHANNEL FORMATION
Descriptor: CRYIA(A)
Authors:Grochulski, P, Cygler, M.
Deposit date:1995-06-01
Release date:1997-01-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Bacillus thuringiensis CryIA(a) insecticidal toxin: crystal structure and channel formation.
J.Mol.Biol., 254, 1995
1G1V
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BU of 1g1v by Molmil
T4 LYSOZYME MUTANT C54T/C97A/I58T
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:2000-10-13
Release date:2001-05-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme.
Protein Sci., 10, 2001
8OQC
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BU of 8oqc by Molmil
Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking)
Descriptor: CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ...
Authors:Loreto, D, Merlino, A, Maity, B, Ueno, T.
Deposit date:2023-04-12
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
7VS9
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BU of 7vs9 by Molmil
Crystal structure of P domain from norovirus GI.9 capsid protein in complex with Lewis x antigen.
Descriptor: CHLORIDE ION, MAGNESIUM ION, VP1, ...
Authors:Murayama, K, Kato-Murayama, M, Shirouzu, M.
Deposit date:2021-10-26
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Lewis fucose is a key moiety for the recognition of histo-blood group antigens by GI.9 norovirus, as revealed by structural analysis.
Febs Open Bio, 12, 2022
8OQG
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BU of 8oqg by Molmil
Cross-linked crystal of dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (high temperature data collection)
Descriptor: CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ...
Authors:Loreto, D, Merlino, A, Maity, B, Ueno, T.
Deposit date:2023-04-12
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
4BTJ
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BU of 4btj by Molmil
TTBK1 in complex with ATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ...
Authors:Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N.
Deposit date:2013-06-18
Release date:2013-09-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
7VS8
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BU of 7vs8 by Molmil
Crystal structure of P domain from norovirus GI.9 capsid protein in complex with Lewis b antigen.
Descriptor: CHLORIDE ION, MAGNESIUM ION, VP1, ...
Authors:Murayama, K, Kato-Murayama, M, Shirouzu, M.
Deposit date:2021-10-26
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lewis fucose is a key moiety for the recognition of histo-blood group antigens by GI.9 norovirus, as revealed by structural analysis.
Febs Open Bio, 12, 2022
8BU8
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BU of 8bu8 by Molmil
Double-motif Single-stranded Paranemic Crossover RNA Triangle (2PXT)
Descriptor: RNA (354-MER)
Authors:Sampedro, N, Andersen, E.S, McRae, E.K.S.
Deposit date:2022-11-30
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (6.56 Å)
Cite:An RNA Paranemic Crossover Triangle as A 3D Module for Cotranscriptional Nanoassembly.
Small, 19, 2023
1DM1
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BU of 1dm1 by Molmil
2.0 A CRYSTAL STRUCTURE OF THE DOUBLE MUTANT H(E7)V, T(E10)R OF MYOGLOBIN FROM APLYSIA LIMACINA
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Federici, L, Savino, C, Musto, R, Travaglini-Allocatelli, C, Cutruzzola, F, Brunori, M.
Deposit date:1999-12-13
Release date:2000-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Engineering His(E7) affects the control of heme reactivity in Aplysia limacina myoglobin.
Biochem.Biophys.Res.Commun., 269, 2000
2BFL
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BU of 2bfl by Molmil
Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent.
Descriptor: AZIDE ION, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M.
Deposit date:2004-12-08
Release date:2005-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005

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