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3FBO
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BU of 3fbo by Molmil
Metal exchange in Thermolysin
Descriptor: CALCIUM ION, COPPER (II) ION, Thermolysin
Authors:Englert, L, Heine, A, Klebe, G.
Deposit date:2008-11-19
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Metal exchange in thermolysin
To be Published
5CLS
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BU of 5cls by Molmil
Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole inhibitor (+)-31a
Descriptor: (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate, CHLORIDE ION, CITRIC ACID, ...
Authors:Janowski, R, Miller, A.K, Niessing, D.
Deposit date:2015-07-16
Release date:2016-01-13
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.
Acs Chem.Biol., 11, 2016
1KJM
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BU of 1kjm by Molmil
TAP-A-associated rat MHC class I molecule
Descriptor: B6 Peptide, RT1 class I histocompatibility antigen, AA alpha chain, ...
Authors:Rudolph, M.G, Stevens, J, Speir, J.A, Trowsdale, J, Butcher, G.W, Joly, E, Wilson, I.A.
Deposit date:2001-12-04
Release date:2002-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of two rat MHC class Ia (RT1-A) molecules that are associated differentially with peptide transporter alleles TAP-A and TAP-B.
J.Mol.Biol., 324, 2002
3F5W
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BU of 3f5w by Molmil
KcsA Potassium channel in the open-inactivated state with 32 A opening at T112
Descriptor: Antibody heavy chain, Antibody light chain, POTASSIUM ION, ...
Authors:Cuello, L.G, Jogini, V, Cortes, D.M, Perozo, E.
Deposit date:2008-11-04
Release date:2010-05-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:KcsA Potassium channel in the open-inactivated state with 32 A opening at T112
TO BE PUBLISHED
2DY5
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BU of 2dy5 by Molmil
Crystal structure of rat heme oxygenase-1 in complex with heme and 2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane
Descriptor: 1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE, CHLORIDE ION, Heme oxygenase 1, ...
Authors:Sugishima, M, Takahashi, H, Fukuyama, K.
Deposit date:2006-09-06
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray crystallographic and biochemical characterization of the inhibitory action of an imidazole-dioxolane compound on heme oxygenase
Biochemistry, 46, 2007
1KLF
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BU of 1klf by Molmil
FIMH ADHESIN-FIMC CHAPERONE COMPLEX WITH D-MANNOSE
Descriptor: CHAPERONE PROTEIN FIMC, FIMH PROTEIN, alpha-D-mannopyranose
Authors:Hung, C.S, Bouckaert, J.
Deposit date:2001-12-11
Release date:2002-06-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural basis of tropism of Escherichia coli to the bladder during urinary tract infection.
Mol.Microbiol., 44, 2002
6ALM
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BU of 6alm by Molmil
VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and 2-OXO-GLUTARIC ACID
Descriptor: 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
Authors:Dunham, N.P, Mitchell, A.J, Boal, A.K.
Deposit date:2017-08-08
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase.
J. Am. Chem. Soc., 139, 2017
2W08
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BU of 2w08 by Molmil
The structure of serum amyloid P component bound to 0-phospho- threonine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PHOSPHOTHREONINE, ...
Authors:Kolstoe, S.E, Pepys, M.B, Wood, S.P.
Deposit date:2008-08-12
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Dissection of Alzheimer'S Disease Neuropathology by Depletion of Serum Amyloid P Component.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FHD
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BU of 3fhd by Molmil
Crystal structure of the Shutoff and Exonuclease Protein from Kaposis Sarcoma Associated Herpesvirus
Descriptor: MAGNESIUM ION, ORF 37, SULFATE ION
Authors:Dahlroth, S.L, Gurmu, D, Schmitzberger, F, Haas, J, Erlandsen, H, Nordlund, P.
Deposit date:2008-12-09
Release date:2009-11-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the shutoff and exonuclease protein from the oncogenic Kaposi's sarcoma-associated herpesvirus
Febs J., 276, 2009
3FHQ
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BU of 3fhq by Molmil
Structure of endo-beta-N-acetylglucosaminidase A
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Endo-beta-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose
Authors:Jie, Y, Li, L, Shaw, N, Li, Y, Song, J, Zhang, W, Xia, C, Zhang, R, Joachimiak, A, Zhang, H.-C, Wang, L.-X, Wang, P, Liu, Z.-J.
Deposit date:2008-12-10
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Structural basis and catalytic mechanism for the dual functional endo-beta-N-acetylglucosaminidase A
Plos One, 4, 2009
5BWK
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BU of 5bwk by Molmil
6.0 A Crystal structure of a Get3-Get4-Get5 intermediate complex from S.cerevisiae
Descriptor: ATPase GET3, Golgi to ER traffic protein 4, Ubiquitin-like protein MDY2, ...
Authors:Gristick, H.B, Chartron, J.W, Clemons, W.M.
Deposit date:2015-06-08
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (6 Å)
Cite:Mechanism of Assembly of a Substrate Transfer Complex during Tail-anchored Protein Targeting.
J.Biol.Chem., 290, 2015
3FIJ
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BU of 3fij by Molmil
Crystal structure of a uncharacterized protein lin1909
Descriptor: Lin1909 protein, MANGANESE (II) ION
Authors:Sugadev, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-12-11
Release date:2009-01-13
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a uncharacterized protein lin1909
To be Published
2W4S
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BU of 2w4s by Molmil
novel RNA-binding domain in Cryptosporidium parvum at 2.5 angstrom resolution
Descriptor: Ankyrin-repeat protein
Authors:Varrot, A, Mackereth, C, Mourao, A, Sattler, M, Cusack, S.
Deposit date:2008-12-02
Release date:2009-12-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure and RNA Recognition by the Snrna and Snorna Transport Factor Phax.
RNA, 16, 2010
2E1D
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BU of 2e1d by Molmil
Crystal structure of mouse transaldolase
Descriptor: SULFITE ION, Transaldolase
Authors:Kishishita, S, Murayama, K, Chen, L, Liu, Z.J, Wang, B.C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-10-25
Release date:2007-11-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of mouse transaldolase
To be Published
4Y3S
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BU of 4y3s by Molmil
Endothiapepsin in complex with fragment 266
Descriptor: 6-(dimethylamino)pyridine-3-carboxylic acid, ACETATE ION, Endothiapepsin, ...
Authors:Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
2E2G
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BU of 2e2g by Molmil
Crystal structure of archaeal peroxiredoxin, thioredoxin peroxidase from Aeropyrum pernix K1 (pre-oxidation form)
Descriptor: Probable peroxiredoxin
Authors:Nakamura, T, Yamamoto, T, Abe, M, Matsumura, H, Hagihara, Y, Goto, T, Yamaguchi, T, Inoue, T.
Deposit date:2006-11-13
Release date:2007-11-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Oxidation of archaeal peroxiredoxin involves a hypervalent sulfur intermediate
Proc.Natl.Acad.Sci.Usa, 105, 2008
2VT5
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BU of 2vt5 by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE -1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH A DUAL BINDING AMP SITE INHIBITOR
Descriptor: 4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE, FRUCTOSE-1,6-BISPHOSPHATASE 1
Authors:Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T.
Deposit date:2008-05-09
Release date:2008-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Fbpase Inhibitors Gain 10(5) Times in Potency When Simultaneously Binding Two Neighboring AMP Sites.
Bioorg.Med.Chem.Lett., 18, 2008
4Y47
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BU of 4y47 by Molmil
Endothiapepsin in complex with fragment 162
Descriptor: 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ACETATE ION, Endothiapepsin, ...
Authors:Krimmer, S.G, Krug, M, Uehlein, M, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4J14
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BU of 4j14 by Molmil
Crystal Structure of Human Cytochrome P450 CYP46A1 with Posaconazole Bound
Descriptor: Cholesterol 24-hydroxylase, GLYCEROL, POSACONAZOLE, ...
Authors:Stout, C.D, Mast, N, Pikuleva, I.A.
Deposit date:2013-01-31
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Antifungal Azoles: Structural Insights into Undesired Tight Binding to Cholesterol-Metabolizing CYP46A1.
Mol.Pharmacol., 84, 2013
2W3C
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BU of 2w3c by Molmil
Globular head region of the human general vesicular transport factor p115
Descriptor: DI(HYDROXYETHYL)ETHER, GENERAL VESICULAR TRANSPORT FACTOR P115
Authors:Striegl, H, Roske, Y, Kummel, D, Heinemann, U.
Deposit date:2008-11-11
Release date:2009-03-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Unusual Armadillo Fold in the Human General Vesicular Transport Factor P115
Plos One, 4, 2009
4IYF
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BU of 4iyf by Molmil
Insulin glargine crystal structure 2
Descriptor: Insulin A chain, Insulin B chain
Authors:Barba de la Rosa, A.P, Lara-Gonzalez, S, Montero-Moran, G.M, Escobedo-Moratilla, A.
Deposit date:2013-01-28
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Physicochemical and structural analysis of a biosimilar insulin glargine formulation and its reference
to be published
4Y4J
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BU of 4y4j by Molmil
Endothiapepsin in complex with fragment B97
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
4Y53
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BU of 4y53 by Molmil
Endothiapepsin in complex with fragment 54
Descriptor: 1,2-ETHANEDIOL, 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
6ABU
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BU of 6abu by Molmil
Rat Xanthine oxidoreductase, NAD bound form
Descriptor: BICARBONATE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Okamoto, K, Kawaguchi, Y.
Deposit date:2018-07-24
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Rat Xanthine oxidoreductase, NAD bound form
To Be Published
4J03
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BU of 4j03 by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant
Descriptor: (7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
Authors:Morisseau, C, Pakhomova, S, Hwang, S.H, Newcomer, M.E, Hammock, B.D.
Deposit date:2013-01-30
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.
Bioorg.Med.Chem.Lett., 23, 2013

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