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4DNJ
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BU of 4dnj by Molmil
The crystal structures of 4-methoxybenzoate bound CYP199A2
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhou, W, Bell, S.G, Yang, W, Tan, A.B.H, Zhou, R, Johnson, E.O.D, Zhang, A, Rao, Z, Wong, L.-L.
Deposit date:2012-02-08
Release date:2012-08-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site
Dalton Trans, 41, 2012
6BB3
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BU of 6bb3 by Molmil
Lactate Dehydrogenase in complex with inhibitor 3-((2-chlorophenyl)thio)-6-(6-((4-fluorophenyl)amino)pyridin-2-yl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Chen, Z, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
4KM4
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BU of 4km4 by Molmil
E. coli alkaline phosphatase mutant S102G/R166S in complex with inorganic phosphate
Descriptor: Alkaline phosphatase, PHOSPHATE ION, ZINC ION
Authors:Andrews, L.D, Fenn, T.D, Herschlag, D.
Deposit date:2013-05-08
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ground state destabilization by anionic nucleophiles contributes to the activity of phosphoryl transfer enzymes.
Plos Biol., 11, 2013
6L0J
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BU of 6l0j by Molmil
Crystal structure of Dihydroorotase in complex with malate at pH7.5 from Saccharomyces cerevisiae
Descriptor: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
Authors:Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
Deposit date:2019-09-26
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.933 Å)
Cite:Structural Analysis of Saccharomyces cerevisiae Dihydroorotase Reveals Molecular Insights into the Tetramerization Mechanism
Molecules, 2021
2HUB
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BU of 2hub by Molmil
Structure of Hen Egg-White Lysozyme Determined from crystals grown in pH 7.5
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D(-)-TARTARIC ACID, ...
Authors:Frolow, F, Lagziel-Simis, S, Cohen-Hadar, N, Wine, Y, Freeman, A.
Deposit date:2006-07-26
Release date:2007-07-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Monitoring influence of pH on the molecular and crystal structure of hen egg-white tetragonal lysozyme
To be Published
1Z8Q
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BU of 1z8q by Molmil
Ferrous dioxygen complex of the A245T cytochrome P450eryF
Descriptor: 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ...
Authors:Nagano, S, Cupp-Vickery, J.R, Poulos, T.L.
Deposit date:2005-03-31
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF.
J.Biol.Chem., 280, 2005
3K8M
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BU of 3k8m by Molmil
Crystal structure of SusG with acarbose
Descriptor: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Koropatkin, N.M, Smith, T.J.
Deposit date:2009-10-14
Release date:2010-03-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SusG: A Unique Cell-Membrane-Associated alpha-Amylase from a Prominent Human Gut Symbiont Targets Complex Starch Molecules.
Structure, 18, 2010
4KPA
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BU of 4kpa by Molmil
Crystal structure of cytochrome P450 BM-3 in complex with N-palmitoylglycine (NPG)
Descriptor: Cytochrome P450 BM-3, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Amadeo, G.A, Catalano, J, McDermott, A.E, Tong, L.
Deposit date:2013-05-13
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3.
Biochemistry, 52, 2013
6L0H
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BU of 6l0h by Molmil
Crystal structure of dihydroorotase in complex with malate at pH7 from Saccharomyces cerevisiae
Descriptor: (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION
Authors:Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
Deposit date:2019-09-26
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.054 Å)
Cite:Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
4R1T
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BU of 4r1t by Molmil
Crystal structure of Petunia hydrida cinnamoyl-CoA reductase
Descriptor: cinnamoyl CoA reductase, molecular iodine
Authors:Noel, J.P, Louie, G.V, Bowman, M.E, Bomati, E.K.
Deposit date:2014-08-07
Release date:2014-10-01
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis.
Plant Cell, 26, 2014
4KPR
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BU of 4kpr by Molmil
Tetrameric form of rat selenoprotein thioredoxin reductase 1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, SULFITE ION, ...
Authors:Lindqvist, Y, Sandalova, T, Xu, J, Arner, E.
Deposit date:2013-05-14
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Trp114 residue of thioredoxin reductase 1 is an electron relay sensor for oxidative stress
To be Published, 2013
2HXX
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BU of 2hxx by Molmil
Aminotryptophan Barstar
Descriptor: Barstar
Authors:Rubini, M, Lepthien, S, Golbik, R, Budisa, N.
Deposit date:2006-08-04
Release date:2006-08-22
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminotryptophan-containing barstar
BIOCHIM.BIOPHYS.ACTA, 1764, 2006
4R20
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BU of 4r20 by Molmil
Zebra fish cytochrome P450 17A2 with Abiraterone
Descriptor: Abiraterone, Cytochrome P450 family 17 polypeptide 2, MERCURY (II) ION, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2014-08-08
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2.
J.Biol.Chem., 290, 2015
4DD3
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BU of 4dd3 by Molmil
EVAL processed HEWL, carboplatin aqueous paratone
Descriptor: 2-methylprop-1-ene, CHLORIDE ION, Lysozyme C
Authors:Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
Deposit date:2012-01-18
Release date:2012-04-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
6BDJ
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BU of 6bdj by Molmil
Crystal structure of dioxygenase Tetur07g02040
Descriptor: FE (III) ION, Tetur07g02040
Authors:Daneshian, L, Schlachter, C.R, Chruszcz, M.
Deposit date:2017-10-23
Release date:2018-11-14
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
3K96
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BU of 3k96 by Molmil
2.1 Angstrom resolution crystal structure of glycerol-3-phosphate dehydrogenase (gpsA) from Coxiella burnetii
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, Glycerol-3-phosphate dehydrogenase [NAD(P)+]
Authors:Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-10-15
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2.1 Angstrom Resolution Crystal Structure of Glycerol-3-phosphate Dehydrogenase (gpsA) from Coxiella burnetii.
TO BE PUBLISHED
2HUO
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BU of 2huo by Molmil
Crystal structure of mouse myo-inositol oxygenase in complex with substrate
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, FE (III) ION, FORMIC ACID, ...
Authors:Brown, P.M, Caradoc-Davies, T.T, Dickson, J.M.J, Cooper, G.J.S, Loomes, K.M, Baker, E.N.
Deposit date:2006-07-27
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a substrate complex of myo-inositol oxygenase, a di-iron oxygenase with a key role in inositol metabolism.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2HUM
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BU of 2hum by Molmil
Crystal structure of T4 Lysozyme D72C synthetic dimer
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme
Authors:Banatao, D.R, Cascio, D, Yeates, T.O.
Deposit date:2006-07-26
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:An approach to crystallizing proteins by synthetic symmetrization.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2P5J
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BU of 2p5j by Molmil
sPLA2 inhibitor pip 17
Descriptor: pip17
Authors:Thwin, M.M, Satyanarayanajois, D.S, Nagarajarao, L.M, Sato, K, Gopalakrishnakone, P.P, Arjunan, P.
Deposit date:2007-03-15
Release date:2007-11-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Novel Peptide Inhibitors of Human Secretory Phospholipase A2 with Antiinflammatory Activity: Solution Structure and Molecular Modeling.
J.Med.Chem., 50, 2007
4NKW
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BU of 4nkw by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate pregnenolone
Descriptor: (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E, Petrunak, E.P.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
6BG5
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BU of 6bg5 by Molmil
Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1
Descriptor: Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
Deposit date:2017-10-27
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
3K9D
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BU of 3k9d by Molmil
CRYSTAL STRUCTURE OF PROBABLE ALDEHYDE DEHYDROGENASE FROM Listeria monocytogenes EGD-e
Descriptor: ALDEHYDE DEHYDROGENASE, CHLORIDE ION, GLYCEROL
Authors:Patskovsky, Y, Toro, R, Freeman, J, Miller, S, Sauder, J.M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-10-15
Release date:2009-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Aldehyde Dehydrogenase from Listeria Monocytogenes
To be Published
2B5U
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BU of 2b5u by Molmil
Crystal Structure Of Colicin E3 V206C Mutant In Complex With Its Immunity Protein
Descriptor: CITRIC ACID, Colicin E3, Colicin E3 immunity protein
Authors:Nallini Vijayarangan, A, Nithianantham, S, Nan, W, Jakes, K, Shoham, M.
Deposit date:2005-09-29
Release date:2006-11-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure Of Colicin E3 In Complex With Its Immunity Protein
TO BE PUBLISHED
4KR1
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BU of 4kr1 by Molmil
Crystal structure of the kinetechore protein Iml3 from budding yeast
Descriptor: Central kinetochore subunit IML3
Authors:Tao, Y, Guo, Q, Teng, M.
Deposit date:2013-05-16
Release date:2013-12-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the role of the Chl4-Iml3 complex in kinetochore assembly
Acta Crystallogr.,Sect.D, 69, 2013
1Z12
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BU of 1z12 by Molmil
Crystal Structure of Bovine Low Molecular Weight PTPase Complexed with Vanadate
Descriptor: Low molecular weight phosphotyrosine protein phosphatase, VANADATE ION
Authors:Zhang, M, Zhou, M, Van Etten, R.L, Stauffacher, C.V.
Deposit date:2005-03-03
Release date:2005-04-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Bovine Low Molecular Weight Phosphotyrosyl Phosphatase Complexed with the Transition State Analog Vanadate
Biochemistry, 36, 1997

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