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1HK1
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BU of 1hk1 by Molmil
HUMAN SERUM ALBUMIN COMPLEXED WITH THYROXINE (3,3',5,5'-TETRAIODO-L-THYRONINE)
Descriptor: 3,5,3',5'-TETRAIODO-L-THYRONINE, SERUM ALBUMIN
Authors:Petitpas, I, Petersen, C.E, Ha, C.E, Bhattacharya, A.A, Zunszain, P.A, Ghuman, J, Bhagavan, N.V, Curry, S.
Deposit date:2003-03-05
Release date:2003-05-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis of Albumin-Thyroxine Interactions and Familial Dysalbuminemic Hyperthyroxinemia
Proc.Natl.Acad.Sci.USA, 100, 2003
5TKI
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BU of 5tki by Molmil
Neurospora crassa polysaccharide monooxygenase 2 resting state joint X-ray/neutron refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase
Authors:O'Dell, W.B, Meilleur, F.
Deposit date:2016-10-06
Release date:2017-05-17
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
Cite:Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
Angew. Chem. Int. Ed. Engl., 56, 2017
7N60
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BU of 7n60 by Molmil
The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Lau, I.C.K, Coleman, T, Bell, S.G, Bruning, J.B.
Deposit date:2021-06-07
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant
To Be Published
4K6Y
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BU of 4k6y by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-Q (ANSRWQTSII)
Descriptor: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36-Q peptide
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-04-16
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Stereochemical Preferences Modulate Affinity and Selectivity among Five PDZ Domains that Bind CFTR: Comparative Structural and Sequence Analyses.
Structure, 22, 2014
4K76
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BU of 4k76 by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-TRL (ANSRWPTTRL)
Descriptor: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36-TRL peptide
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-04-16
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Stereochemical Preferences Modulate Affinity and Selectivity among Five PDZ Domains that Bind CFTR: Comparative Structural and Sequence Analyses.
Structure, 22, 2014
5TNU
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BU of 5tnu by Molmil
S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution
Descriptor: CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ...
Authors:DuPrez, K.T, Hilario, E, Wang, I, Fan, L.
Deposit date:2016-10-14
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA.
Anal.Chem., 90, 2018
5TE1
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BU of 5te1 by Molmil
C20S, C293G Mutant N-terminal Human ATP Citrate Lyase Bound to 4R-Hydroxycitrate
Descriptor: 3-C-carboxy-2-deoxy-L-threo-pentaric acid, ATP-citrate synthase, PHOSPHATE ION, ...
Authors:Hu, J, Fraser, M.E.
Deposit date:2016-09-20
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
5TFZ
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BU of 5tfz by Molmil
Crystal structure of the dimethylsulfoniopropionate (DMSP) lyase DddK complexed with nickel and diacrylate
Descriptor: 3-(acryloyloxy)propanoic acid, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ...
Authors:Schnicker, N.J, Dey, M.
Deposit date:2016-09-27
Release date:2017-06-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Insights into Dimethylsulfoniopropionate Cleavage by Cofactor-Bound DddK from the Prolific Marine Bacterium Pelagibacter.
Biochemistry, 56, 2017
1THA
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BU of 1tha by Molmil
MECHANISM OF MOLECULAR RECOGNITION. STRUCTURAL ASPECTS OF 3,3'-DIIODO-L-THYRONINE BINDING TO HUMAN SERUM TRANSTHYRETIN
Descriptor: 3,3'-DEIODO-THYROXINE, TRANSTHYRETIN
Authors:Wojtczak, A, Luft, J, Cody, V.
Deposit date:1991-11-21
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of molecular recognition. Structural aspects of 3,3'-diiodo-L-thyronine binding to human serum transthyretin.
J.Biol.Chem., 267, 1992
1AYN
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BU of 1ayn by Molmil
HUMAN RHINOVIRUS 16 COAT PROTEIN
Descriptor: HUMAN RHINOVIRUS 16 COAT PROTEIN, LAURIC ACID, MYRISTIC ACID, ...
Authors:Hadfield, A.T, Oliveira, M.A, Zhao, R, Rossmann, M.G.
Deposit date:1997-11-06
Release date:1998-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of human rhinovirus 16.
Structure, 1, 1993
3C79
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BU of 3c79 by Molmil
Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid
Descriptor: (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor
Authors:Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W.
Deposit date:2008-02-06
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5TJH
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BU of 5tjh by Molmil
hUGDH A136M Substitution
Descriptor: CHLORIDE ION, PYROPHOSPHATE 2-, UDP-glucose 6-dehydrogenase, ...
Authors:Beattie, N.R, Wood, Z.A.
Deposit date:2016-10-04
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Allostery and Hysteresis Are Coupled in Human UDP-Glucose Dehydrogenase.
Biochemistry, 56, 2017
7N6F
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BU of 7n6f by Molmil
Co-complex CYP46A1 with compound 3f
Descriptor: (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, ...
Authors:Lane, W, Gay, S.C.
Deposit date:2021-06-08
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H)
Eur.J.Med.Chem., 240, 2022
1HUC
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BU of 1huc by Molmil
THE REFINED 2.15 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF HUMAN LIVER CATHEPSIN B: THE STRUCTURAL BASIS FOR ITS SPECIFICITY
Descriptor: CATHEPSIN B
Authors:Musil, D, Bode, W.
Deposit date:1993-04-21
Release date:1995-01-26
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The refined 2.15 A X-ray crystal structure of human liver cathepsin B: the structural basis for its specificity.
EMBO J., 10, 1991
5U89
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BU of 5u89 by Molmil
Crystal structure of a cross-module fragment from the dimodular NRPS DhbF
Descriptor: 5'-({[(2R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine, Amino acid adenylation domain protein, MbtH domain protein
Authors:Tarry, M.J, Schmeing, T.M.
Deposit date:2016-12-14
Release date:2017-05-10
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (3.075 Å)
Cite:X-Ray Crystallography and Electron Microscopy of Cross- and Multi-Module Nonribosomal Peptide Synthetase Proteins Reveal a Flexible Architecture.
Structure, 25, 2017
1SV2
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BU of 1sv2 by Molmil
Crystal Structure of Peptide Deformylase from Leptospira Interrogans (LiPDF) at pH7.5
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FORMIC ACID, Peptide deformylase, ...
Authors:Zhou, Z, Song, X, Li, Y, Gong, W.
Deposit date:2004-03-27
Release date:2005-08-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Novel conformational states of peptide deformylase from pathogenic bacterium Leptospira interrogans: implications for population shift
J.Biol.Chem., 280, 2005
1T98
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BU of 1t98 by Molmil
Crystal Structure of MukF(1-287)
Descriptor: Chromosome partition protein mukF
Authors:Fennell-Fezzie, R, Berger, J.M.
Deposit date:2004-05-14
Release date:2005-05-24
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The MukF subunit of Escherichia coli condensin: architecture and functional relationship to kleisins.
Embo J., 24, 2005
5UCD
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BU of 5ucd by Molmil
Benzaldehyde Dehydrogenase, a Class 3 Aldehyde Dehydrogenase, with bound NADP+ and Benzoate Adduct
Descriptor: NAD(P)-dependent benzaldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zahniser, M.P.D, Prasad, S, Kneen, M.M, Kreinbring, C.A, Petsko, G.A, Ringe, D, McLeish, M.J.
Deposit date:2016-12-22
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure and mechanism of benzaldehyde dehydrogenase from Pseudomonas putida ATCC 12633, a member of the Class 3 aldehyde dehydrogenase superfamily.
Protein Eng. Des. Sel., 30, 2017
1J6P
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BU of 1j6p by Molmil
Crystal structure of Metal-dependent hydrolase of cytosinedemaniase/chlorohydrolase family (TM0936) from Thermotoga maritima at 1.9 A resolution
Descriptor: METAL-DEPENDENT HYDROLASE OF CYTOSINEDEMANIASE/CHLOROHYDROLASE FAMILY, NICKEL (II) ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2002-07-09
Release date:2002-10-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Metal-dependent hydrolase of cytosinedemaniase/chlorohydrolase family (TM0936) from Thermotoga maritima at 1.9 A resolution
To be published
1TAS
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BU of 1tas by Molmil
CRYSTALLINE MITOCHONDRIAL ASPARTATE AMINOTRANSFERASE EXISTS IN ONLY TWO CONFORMATIONS
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, ASPARTATE AMINOTRANSFERASE
Authors:Hohenester, E, Jansonius, J.N.
Deposit date:1993-10-04
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystalline mitochondrial aspartate aminotransferase exists in only two conformations.
J.Mol.Biol., 236, 1994
7MXR
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BU of 7mxr by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (r-2)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
7MXS
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BU of 7mxs by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (cr)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
7MXU
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BU of 7mxu by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' flap DNA (cf2)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*A)-3'), DNA (5'-D(P*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.042 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
7MXV
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BU of 7mxv by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (ur)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.211 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
7MXT
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BU of 7mxt by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (cmr)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.048 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published

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