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4IIQ
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BU of 4iiq by Molmil
Crystal structure of a human MAIT TCR in complex with bovine MR1
Descriptor: Beta-2-microglobulin, MHC class I-related protein, Human Mucosal Associated Invariant T cell receptor alpha chain, ...
Authors:Lopez-Sagaseta, J, Adams, E.J.
Deposit date:2012-12-20
Release date:2013-04-24
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:The molecular basis for Mucosal-Associated Invariant T cell recognition of MR1 proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
1MMJ
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BU of 1mmj by Molmil
Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706
Descriptor: 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID, CALCIUM ION, SULFATE ION, ...
Authors:Kinoshita, T.
Deposit date:2002-09-04
Release date:2002-12-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:True interaction mode of porcine pancreatic elastase with FR136706, a potent peptidyl inhibitor
Bioorg.Med.Chem.Lett., 13, 2003
1JCL
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BU of 1jcl by Molmil
OBSERVATION OF COVALENT INTERMEDIATES IN AN ENZYME MECHANISM AT ATOMIC RESOLUTION
Descriptor: 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, DEOXYRIBOSE-PHOSPHATE ALDOLASE
Authors:Heine, A, DeSantis, G, Luz, J.G, Mitchell, M, Wong, C.-H, Wilson, I.A.
Deposit date:2001-06-09
Release date:2001-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Observation of covalent intermediates in an enzyme mechanism at atomic resolution.
Science, 294, 2001
4FOB
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BU of 4fob by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1
Descriptor: ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
Authors:Whittington, D.A, Epstein, L.F, Chen, H.
Deposit date:2012-06-20
Release date:2012-07-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
1XYK
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BU of 1xyk by Molmil
NMR Structure of the canine prion protein
Descriptor: prion protein
Authors:Lysek, D.A, Schorn, C, Esteve-Moya, V, Herrmann, T, Wuthrich, K.
Deposit date:2004-11-10
Release date:2005-01-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Prion protein NMR structures of cats, dogs, pigs, and sheep
Proc.Natl.Acad.Sci.USA, 102, 2005
4FR0
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BU of 4fr0 by Molmil
ArsM arsenic(III) S-adenosylmethionine methyltransferase with SAM
Descriptor: Arsenic methyltransferase, S-ADENOSYLMETHIONINE
Authors:Ajees, A.A, Marapakala, K, Packianathan, C, Sankaran, B, Rosen, B.P.
Deposit date:2012-06-26
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of an As(III) S-Adenosylmethionine Methyltransferase: Insights into the Mechanism of Arsenic Biotransformation.
Biochemistry, 51, 2012
1XYJ
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BU of 1xyj by Molmil
NMR Structure of the cat prion protein
Descriptor: prion protein
Authors:Lysek, D.A, Schorn, C, Nivon, L.G, Esteve-Moya, V, Christen, B, Calzolai, L, von Schroetter, C, Fiorito, F, Herrmann, T, Guntert, P.
Deposit date:2004-11-10
Release date:2005-01-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Prion protein NMR structures of cats, dogs, pigs, and sheep
Proc.Natl.Acad.Sci.USA, 102, 2005
1XZE
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BU of 1xze by Molmil
FUSARIUM SOLANI CUTINASE MUTANT WITH SER 92 REPLACED BY CYS
Descriptor: CUTINASE
Authors:Martinez, C, Cambillau, C.
Deposit date:1995-11-28
Release date:1996-10-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
1MEM
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BU of 1mem by Molmil
Crystal structure of Cathepsin K complexed with a potent vinyl sulfone inhibitor
Descriptor: Cathepsin K, N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide
Authors:Mcgrath, M.E.
Deposit date:1997-01-08
Release date:1998-01-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human cathepsin K complexed with a potent inhibitor.
Nat.Struct.Biol., 4, 1997
1A4L
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BU of 1a4l by Molmil
ADA STRUCTURE COMPLEXED WITH DEOXYCOFORMYCIN AT PH 7.0
Descriptor: 2'-DEOXYCOFORMYCIN, ADENOSINE DEAMINASE, ZINC ION
Authors:Wang, Z, Quiocho, F.A.
Deposit date:1998-01-31
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity.
Biochemistry, 37, 1998
1PYY
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BU of 1pyy by Molmil
Double mutant PBP2x T338A/M339F from Streptococcus pneumoniae strain R6 at 2.4 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-O-octanoyl-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Penicillin-binding protein 2X, ...
Authors:Chesnel, L, Pernot, L, Lemaire, D, Champelovier, D, Croize, J, Dideberg, O, Vernet, T, Zapun, A.
Deposit date:2003-07-09
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:The Structural Modifications Induced by the M339F Substitution in PBP2x from Streptococcus pneumoniae Further Decreases the Susceptibility to beta-Lactams of Resistant Strains
J.Biol.Chem., 278, 2003
1Q0P
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BU of 1q0p by Molmil
A domain of Factor B
Descriptor: Complement factor B, MANGANESE (II) ION
Authors:Bhattacharya, A.A, Liddington, R.C.
Deposit date:2003-07-17
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the A Domain from Complement Factor B Reveals an Integrin-like Open Conformation.
STRUCTURE, 12, 2004
1A4M
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BU of 1a4m by Molmil
ADA STRUCTURE COMPLEXED WITH PURINE RIBOSIDE AT PH 7.0
Descriptor: 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION
Authors:Wang, Z, Quiocho, F.A.
Deposit date:1998-01-31
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity.
Biochemistry, 37, 1998
4GTW
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BU of 4gtw by Molmil
Crystal structure of mouse Enpp1 in complex with AMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Kato, K, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2012-08-29
Release date:2012-11-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Proc.Natl.Acad.Sci.USA, 109, 2012
1YCS
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BU of 1ycs by Molmil
P53-53BP2 COMPLEX
Descriptor: 53BP2, P53, ZINC ION
Authors:Gorina, S, Pavletich, N.P.
Deposit date:1996-09-30
Release date:1997-11-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the p53 tumor suppressor bound to the ankyrin and SH3 domains of 53BP2.
Science, 274, 1996
1PPP
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BU of 1ppp by Molmil
CRYSTAL STRUCTURE OF PAPAIN-E64-C COMPLEX. BINDING DIVERSITY OF E64-C TO PAPAIN S2 AND S3 SUBSITES
Descriptor: METHANOL, N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, PAPAIN
Authors:Ishida, T.
Deposit date:1993-03-17
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of papain-E64-c complex. Binding diversity of E64-c to papain S2 and S3 subsites.
Biochem.J., 287, 1992
4GTZ
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BU of 4gtz by Molmil
Crystal structure of mouse Enpp1 in complex with CMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Kato, K, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2012-08-29
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.191 Å)
Cite:Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Proc.Natl.Acad.Sci.USA, 109, 2012
4H2A
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BU of 4h2a by Molmil
Crystal structure of wild type protective antigen to 1.62 A (pH 7.5)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Protective antigen
Authors:Baker, P.J, Sorrell, F.J.
Deposit date:2012-09-12
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of wild type protective antigen to 1.62 A (pH 7.5)
TO BE PUBLISHED
1NUY
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BU of 1nuy by Molmil
Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, and Phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ...
Authors:Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B.
Deposit date:2003-02-01
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Metaphosphate in the active site of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
1YM0
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BU of 1ym0 by Molmil
Crystal Structure of Earthworm Fibrinolytic Enzyme Component B: a Novel, Glycosylated Two-chained Trypsin
Descriptor: MAGNESIUM ION, SULFATE ION, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, F, Wang, C, Li, M, Zhang, J.P, Gui, L.L, An, X.M, Chang, W.R.
Deposit date:2005-01-20
Release date:2005-04-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of earthworm fibrinolytic enzyme component B: a novel, glycosylated two-chained trypsin.
J.Mol.Biol., 348, 2005
1O5F
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BU of 1o5f by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Serine protease hepsin
Authors:Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
Deposit date:2003-09-09
Release date:2004-09-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
1OF2
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BU of 1of2 by Molmil
Crystal structure of HLA-B*2709 complexed with the vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408)
Descriptor: BETA-2-MICROGLOBULIN, GLYCEROL, HUMAN LYMPHOCYTE ANTIGEN HLA-B27, ...
Authors:Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B.
Deposit date:2003-04-04
Release date:2004-01-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dual, Hla-B27 Subtype-Dependent Conformation of a Self-Peptide
J.Exp.Med., 199, 2004
1KAW
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BU of 1kaw by Molmil
STRUCTURE OF SINGLE STRANDED DNA BINDING PROTEIN (SSB)
Descriptor: SINGLE-STRANDED DNA BINDING PROTEIN
Authors:Raghunathan, S, Waksman, G.
Deposit date:1996-12-06
Release date:1997-12-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the homo-tetrameric DNA binding domain of Escherichia coli single-stranded DNA-binding protein determined by multiwavelength x-ray diffraction on the selenomethionyl protein at 2.9-A resolution.
Proc.Natl.Acad.Sci.USA, 94, 1997
1ZDL
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BU of 1zdl by Molmil
Crystal Structure of Mouse Thioredoxin Reductase Type 2
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 2, ...
Authors:Biterova, E.I, Turanov, A.A, Gladyshev, V.N, Barycki, J.J.
Deposit date:2005-04-14
Release date:2005-11-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of oxidized and reduced mitochondrial thioredoxin reductase provide molecular details of the reaction mechanism.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1O5C
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BU of 1o5c by Molmil
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, CITRIC ACID, Urokinase-type plasminogen activator
Authors:Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
Deposit date:2003-09-09
Release date:2004-09-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA)
J.Mol.Biol., 344, 2004

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