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5E57
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BU of 5e57 by Molmil
Crystal structure of Mycobacterium smegmatis AmtR
Descriptor: ACETATE ION, Transcription regulator AmtR
Authors:Vickers, C.J, McKenzie, J.L, Arcus, V.L.
Deposit date:2015-10-07
Release date:2016-09-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure and Function of AmtR in Mycobacterium smegmatis: Implications for Post-Transcriptional Regulation of Urea Metabolism through a Small Antisense RNA.
J.Mol.Biol., 428, 2016
5Y2R
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BU of 5y2r by Molmil
2.5 atm CO2-pressurized human carbonic anhydrase II
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Park, S.Y.
Deposit date:2017-07-27
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
5DYP
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BU of 5dyp by Molmil
Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Di Nardo, G, Dell'Angelo, V, Gilardi, G.
Deposit date:2015-09-25
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen.
Arch.Biochem.Biophys., 602, 2016
1XGD
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BU of 1xgd by Molmil
Apo R268A human aldose reductase
Descriptor: Aldose reductase
Authors:Brownlee, J.M, Bohren, K.M, Milne, A.C, Gabbay, K.H, Harrison, D.H.T.
Deposit date:2004-09-16
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of Apo R268A human aldose reductase: Hinges and latches that control the kinetic mechanism
Biochim.Biophys.Acta, 1748, 2005
3H76
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BU of 3h76 by Molmil
Crystal structure of PqsD, a key enzyme in Pseudomonas aeruginosa quinolone signal biosynthesis pathway
Descriptor: PQS biosynthetic enzyme
Authors:Bera, A.K, Atanasova, V, Parsons, J.F.
Deposit date:2009-04-24
Release date:2009-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of PqsD, a Pseudomonas quinolone signal biosynthetic enzyme, in complex with anthranilate.
Biochemistry, 48, 2009
4S1Y
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BU of 4s1y by Molmil
X-ray structure of human serum albumin complexed with cisplatin
Descriptor: Cisplatin, Serum albumin
Authors:Merlino, A.
Deposit date:2015-01-16
Release date:2015-04-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Cisplatin binding to human serum albumin: a structural study.
Chem.Commun.(Camb.), 51, 2015
2YYI
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BU of 2yyi by Molmil
Crystal structure of the oxygenase component (HpaB) of 4-hydroxyphenylacetate 3-monooxygenase complexed with FAD
Descriptor: 4-hydroxyphenylacetate-3-hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K.
Deposit date:2007-04-30
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8
J.Biol.Chem., 282, 2007
4NHQ
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BU of 4nhq by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (5 days)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
Deposit date:2013-11-05
Release date:2014-09-17
Last modified:2015-06-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
2YYJ
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BU of 2yyj by Molmil
Crystal structure of the oxygenase component (HpaB) of 4-hydroxyphenylacetate 3-monooxygenase complexed with FAD and 4-hydroxyphenylacetate
Descriptor: 4-HYDROXYPHENYLACETATE, 4-hydroxyphenylacetate-3-hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K.
Deposit date:2007-04-30
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8
J.Biol.Chem., 282, 2007
4R44
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BU of 4r44 by Molmil
Racemic crystal structure of a tetramolecular DNA G-quadruplex
Descriptor: 5'-D(*TP*GP*GP*GP*GP*T)-3', POTASSIUM ION, SODIUM ION
Authors:Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
Deposit date:2014-08-19
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
3H0Y
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BU of 3h0y by Molmil
Aurora A in complex with a bisanilinopyrimidine
Descriptor: 2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
1ND5
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BU of 1nd5 by Molmil
Crystal Structures of Human Prostatic Acid Phosphatase in Complex with a Phosphate Ion and alpha-Benzylaminobenzylphosphonic Acid Update the Mechanistic Picture and Offer New Insights into Inhibitor Design
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ortlund, E, LaCount, M.W, Lebioda, L.
Deposit date:2002-12-07
Release date:2002-12-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of human prostatic acid phosphatase in complex with a phosphate ion and alpha-benzylaminobenzylphosphonic acid update the mechanistic picture and offer new insights into inhibitor design
Biochemistry, 42, 2003
1ND6
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BU of 1nd6 by Molmil
Crystal Structures of Human Prostatic Acid Phosphatase in Complex with a Phosphate Ion and alpha-Benzylaminobenzylphosphonic Acid Update the Mechanistic Picture and Offer New Insights into Inhibitor Design
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Ortlund, E, LaCount, M.W, Lebioda, L.
Deposit date:2002-12-07
Release date:2002-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of human prostatic acid phosphatase in complex with a phosphate ion and alpha-benzylaminobenzylphosphonic acid update the mechanistic picture and offer new insights into inhibitor design
Biochemistry, 42, 2003
3E3E
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BU of 3e3e by Molmil
Human Thioredoxin Double Mutant C35S,C73R
Descriptor: HEXAETHYLENE GLYCOL, Thioredoxin
Authors:Hall, G, Emsley, J.
Deposit date:2008-08-07
Release date:2010-03-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure of human thioredoxin exhibits a large conformational change.
Protein Sci., 19, 2010
2B99
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BU of 2b99 by Molmil
Crystal Structure of an archaeal pentameric riboflavin synthase Complex with a Substrate analog inhibitor
Descriptor: 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, Riboflavin synthase
Authors:Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M.
Deposit date:2005-10-11
Release date:2005-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications
J.Biol.Chem., 281, 2006
2B98
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BU of 2b98 by Molmil
Crystal Structure of an archaeal pentameric riboflavin synthase
Descriptor: Riboflavin synthase
Authors:Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M.
Deposit date:2005-10-11
Release date:2005-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications
J.Biol.Chem., 281, 2006
3EI1
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BU of 3ei1 by Molmil
Structure of hsDDB1-drDDB2 bound to a 14 bp 6-4 photoproduct containing DNA-duplex
Descriptor: 5'-D(*DAP*DCP*DGP*DCP*DGP*DAP*(64T)P*(5PY)P*DGP*DCP*DGP*DCP*DCP*DC)-3', 5'-D(*DTP*DGP*DGP*DGP*DCP*DGP*DCP*DAP*DAP*DTP*DCP*DGP*DCP*DG)-3', DNA damage-binding protein 1, ...
Authors:Scrima, A, Thoma, N.H.
Deposit date:2008-09-15
Release date:2009-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
3E81
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BU of 3e81 by Molmil
Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily
Descriptor: 1,2-ETHANEDIOL, Acylneuraminate cytidylyltransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2008-08-19
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.629 Å)
Cite:Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members.
J.Biol.Chem., 284, 2009
3EOV
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BU of 3eov by Molmil
Crystal structure of cyclophilin from Leishmania donovani ligated with cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Venugopal, V, Dasgupta, D, Datta, A.K, Banerjee, R.
Deposit date:2008-09-29
Release date:2008-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Cyclophilin from Leishmania Donovani Bound to Cyclosporin at 2.6 A Resolution: Correlation between Structure and Thermodynamic Data.
Acta Crystallogr.,Sect.D, 65, 2009
4FD9
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BU of 4fd9 by Molmil
Crystal structure of the third beta-gamma-crystallin domain of Crybg3 (betagamma-crystallin domain-containing protein 3) from Mus musculus
Descriptor: Beta/gamma crystallin domain-containing protein 3
Authors:Aravind, P, Srivastava, S.S, Sankaranarayanan, R.
Deposit date:2012-05-26
Release date:2013-04-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Aggregation-prone near-native intermediate formation during unfolding of a structurally similar nonlenticular beta/gamma-crystallin domain
Biochemistry, 51, 2012
2QM4
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BU of 2qm4 by Molmil
Crystal structure of human XLF/Cernunnos, a non-homologous end-joining factor
Descriptor: Non-homologous end-joining factor 1
Authors:Li, Y, Chirgadze, D.Y, Sibanda, B.L, Bolanos-Garcia, V.M, Davies, O.R, Blundell, T.L.
Deposit date:2007-07-14
Release date:2007-12-11
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human XLF/Cernunnos reveals unexpected differences from XRCC4 with implications for NHEJ.
Embo J., 27, 2008
3HMC
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BU of 3hmc by Molmil
Endolysin from Bacillus anthracis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative prophage LambdaBa04, glycosyl hydrolase, ...
Authors:Low, L.Y, Liddington, R.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Role of net charge on catalytic domain and influence of cell wall binding domain on bactericidal activity, specificity, and host range of phage lysins.
J.Biol.Chem., 286, 2011
4BD4
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BU of 4bd4 by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant H43F
Descriptor: GLYCEROL, SUPEROXIDE DISMUTASE [CU-ZN]
Authors:Awad, W, Saraboji, K, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T.
Deposit date:2012-10-04
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Global Structural Motions from the Strain of a Single Hydrogen Bond.
Proc.Natl.Acad.Sci.USA, 110, 2013
2BGA
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BU of 2bga by Molmil
Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 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 (2.7 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
2BG7
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Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized.
Descriptor: BETA-LACTAMASE II, GLYCEROL, SULFATE ION, ...
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 (2.1 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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