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3KGF
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BU of 3kgf by Molmil
The structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with phenylalanine and tryptophan
Descriptor: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Parker, E.J, Jameson, G.B, Jiao, W, Webby, C.J, Baker, E.N, Baker, H.M, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2009-10-29
Release date:2010-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic allostery, a sophisticated regulatory network for the control of aromatic amino acid biosynthesis in Mycobacterium tuberculosis
J.Biol.Chem., 285, 2010
3KMO
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BU of 3kmo by Molmil
Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent DTT)
Descriptor: CALCIUM ION, ETHACRYNIC ACID, GLUTATHIONE, ...
Authors:Parker, L.J.
Deposit date:2009-11-11
Release date:2010-03-23
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Diuretic drug binding to human glutathione transferase P1-1: potential role of CYS101 revealed in the double mutant C47S/Y108V
To be Published
3KO6
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BU of 3ko6 by Molmil
Crystal structure of yeast free methionine-R-sulfoxide reductase Ykg9 in complex with the substrate
Descriptor: METHIONINE SULFOXIDE, UPF0067 GAF domain-containing protein YKL069W
Authors:Ma, X.-X, Guo, P.-C, Chen, Y, Zhou, C.-Z.
Deposit date:2009-11-13
Release date:2010-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of yeast free methionine-R-sulfoxide reductase Ykg9 in complex with the substrate
To be Published
3KO7
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BU of 3ko7 by Molmil
DTD from Plasmodium falciparum in complex with D-Lysine
Descriptor: D-LYSINE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3KOD
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BU of 3kod by Molmil
DTD from Plasmodium falciparum in complex with D-Serine
Descriptor: D-SERINE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3K9Q
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BU of 3k9q by Molmil
Crystal structure of C151G mutant of Glyceraldehyde 3-phosphate dehydrogenase 1 from Methicillin resistant Staphylococcus aureus (MRSA252) at 2.5 angstrom resolution
Descriptor: CHLORIDE ION, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase 1, ...
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2009-10-16
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
3FY3
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BU of 3fy3 by Molmil
Crystal structure of truncated hemolysin A from P. mirabilis
Descriptor: Hemolysin
Authors:Weaver, T.M, Thompson, J.R, Bailey, L.J, Wawrzyn, G.T, Hocking, J.M, Howard, D.R.
Deposit date:2009-01-21
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional studies of truncated hemolysin A from Proteus mirabilis.
J.Biol.Chem., 284, 2009
2CBJ
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BU of 2cbj by Molmil
Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase in complex with PUGNAc
Descriptor: CHLORIDE ION, HYALURONIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Authors:Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F.
Deposit date:2006-01-05
Release date:2006-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
3JQE
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BU of 3jqe by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX8)
Descriptor: 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3FRS
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BU of 3frs by Molmil
Structure of human IST1(NTD) (residues 1-189)(p43212)
Descriptor: GLYCEROL, Uncharacterized protein KIAA0174
Authors:Schubert, H.L, Hill, C.P, Bajorek, M, Sundquist, W.I.
Deposit date:2009-01-08
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for ESCRT-III protein autoinhibition.
Nat.Struct.Mol.Biol., 16, 2009
3G28
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BU of 3g28 by Molmil
Crystal structure of the C-terminal domain of the Rous Sarcoma Virus capsid protein: mutant D179N, low pH
Descriptor: GLYCEROL, Gag polyprotein, NITRATE ION
Authors:Kingston, R.L.
Deposit date:2009-01-30
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Proton-linked dimerization of a retroviral capsid protein initiates capsid assembly
Structure, 17, 2009
2CDP
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BU of 2cdp by Molmil
Structure of a CBM6 in complex with neoagarohexaose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ...
Authors:Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J.
Deposit date:2006-01-26
Release date:2006-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains.
J.Biol.Chem., 281, 2006
2C7V
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BU of 2c7v by Molmil
Structure of Trypanosoma brucei pteridine reductase (PTR1) in ternary complex with cofactor and the antifolate methotrexate
Descriptor: ACETATE ION, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Dawson, A, Gibellini, F, Sienkiewicz, N, Fyfe, P.K, McLuskey, K, Fairlamb, A.H, Hunter, W.N.
Deposit date:2005-11-29
Release date:2006-09-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Reactivity of Trypanosoma Brucei Pteridine Reductase: Inhibition by the Archetypal Antifolate Methotrexate
Mol.Microbiol., 61, 2006
8WTQ
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BU of 8wtq by Molmil
HUMAN SQUALENE SYNTHASE IN COMPLEX WITH {1-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6-oxo-6,7,10,11-tetrahydro-5H,9H,13H-12-oxa-5,8-diaza-benzocycloundecene-8-carbonyl]-piperidin-4-yl}-acetic acid
Descriptor: 2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid, PHOSPHATE ION, Squalene synthase
Authors:Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K.
Deposit date:2023-10-19
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors.
J.Med.Chem., 67, 2024
8WTR
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BU of 8wtr by Molmil
HUMAN SQUALENE SYNTHASE IN COMPLEX WITH (1S,3R)-3-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6,8-dioxo-5,6,7,8,10,11-hexahydro-13H-12-oxa-5,9-diaza-benzocycloundecen-9-yl]-cyclohexanecarboxylic acid
Descriptor: (1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid, PHOSPHATE ION, Squalene synthase
Authors:Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K.
Deposit date:2023-10-19
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors.
J.Med.Chem., 67, 2024
3KM3
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BU of 3km3 by Molmil
Crystal structure of eoxycytidine triphosphate deaminase from anaplasma phagocytophilum at 2.1A resolution
Descriptor: Deoxycytidine triphosphate deaminase, IODIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-11-09
Release date:2009-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAD phasing using iodide ions in a high-throughput structural genomics environment.
J.Struct.Funct.Genom., 12, 2011
3KM8
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BU of 3km8 by Molmil
Crystal structuore of adenosine deaminase from mus musculus complexed with 9-deazainosine
Descriptor: 9-DEAZAINOSINE, Adenosine deaminase, ZINC ION
Authors:Fan, X, Gao, Y.
Deposit date:2009-11-10
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Catalytic Mechanism of Adenosine Deaminase from Mouse: An Experimental and Theoretical Study
To be Published
3KWC
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BU of 3kwc by Molmil
Oxidized, active structure of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM
Descriptor: CHLORIDE ION, Carbon dioxide concentrating mechanism protein, ISOPROPYL ALCOHOL, ...
Authors:Kimber, M.S, Castel, S.E, Pena, K.L.
Deposit date:2009-12-01
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HMN
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BU of 3hmn by Molmil
Crystal structure of human Mps1 catalytic domain in complex with ATP
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity protein kinase TTK
Authors:Chu, M.L.H, Chavas, L.M.G, Williams, D.H, Tabernero, L, Eyers, P.A.
Deposit date:2009-05-29
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biophysical and X-ray crystallographic analysis of Mps1 kinase inhibitor complexes.
Biochemistry, 49, 2010
5ODJ
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BU of 5odj by Molmil
Single-stranded DNA-binding protein from bacteriophage Enc34
Descriptor: CHLORIDE ION, MAGNESIUM ION, Single-stranded DNA-binding protein
Authors:Cernooka, E, Rumnieks, J, Kazaks, A, Tars, K.
Deposit date:2017-07-05
Release date:2017-10-25
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for DNA Recognition of a Single-stranded DNA-binding Protein from Enterobacter Phage Enc34.
Sci Rep, 7, 2017
5ODK
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BU of 5odk by Molmil
Single-stranded DNA-binding protein from bacteriophage Enc34, C-terminal truncation
Descriptor: GLYCEROL, PHOSPHATE ION, single-stranded DNA-binding protein
Authors:Cernooka, E, Rumnieks, J, Kazaks, A, Tars, K.
Deposit date:2017-07-05
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural Basis for DNA Recognition of a Single-stranded DNA-binding Protein from Enterobacter Phage Enc34.
Sci Rep, 7, 2017
3HZO
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BU of 3hzo by Molmil
Rv0554 from Mycobacterium tuberculosis - the structure solved from the tetragonal crystal form
Descriptor: 1,2-ETHANEDIOL, MALONIC ACID, SODIUM ION, ...
Authors:Johnston, J.M, Baker, E.N.
Deposit date:2009-06-23
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of Rv0554 from Mycobacterium tuberculosis
To be Published
3I0C
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BU of 3i0c by Molmil
Crystal structure of GTB C80S/C196S unliganded
Descriptor: ABO glycosyltransferase
Authors:Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
Deposit date:2009-06-25
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
3I0H
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BU of 3i0h by Molmil
Crystal structure of GTB C80S/C196S/C209S unliganded
Descriptor: ABO glycosyltransferase
Authors:Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
Deposit date:2009-06-25
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
3K73
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BU of 3k73 by Molmil
Crystal Structure of Phosphate bound Holo Glyceraldehyde-3-phosphate dehydrogenase 1 from MRSA252 at 2.5 Angstrom resolution
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2009-10-12
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010

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