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1BQP
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BU of 1bqp by Molmil
THE STRUCTURE OF THE PEA LECTIN-D-MANNOPYRANOSE COMPLEX
Descriptor: CALCIUM ION, MANGANESE (II) ION, PROTEIN (LECTIN), ...
Authors:Ruzeinikov, S.N, Mikhailova, I.Y, Tsygannik, I.N, Pangborn, W, Duax, W, Pletnev, V.Z.
Deposit date:1998-08-17
Release date:1998-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of the Pea Lectin-D-Mannopyranose Complex at a 2.1 A Resolution
RUSS.J.BIOORGANIC CHEM., 24, 1998
1PD9
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BU of 1pd9 by Molmil
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine antifolate Complex with Human Dihydrofolate Reductase
Descriptor: 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, SULFATE ION
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
Deposit date:2003-05-19
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1PD8
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BU of 1pd8 by Molmil
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase
Descriptor: 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
Deposit date:2003-05-19
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1PDB
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BU of 1pdb by Molmil
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase
Descriptor: Dihydrofolate reductase
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
Deposit date:2003-05-19
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1S3V
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BU of 1s3v by Molmil
Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
Descriptor: (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
Deposit date:2004-01-14
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
1S3W
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BU of 1s3w by Molmil
Structure Determination of Tetrahydroquinazoline Antifoaltes in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
Descriptor: 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
Deposit date:2004-01-14
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
1S3Y
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BU of 1s3y by Molmil
Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
Descriptor: 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
Deposit date:2004-01-14
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
1S3U
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BU of 1s3u by Molmil
Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry
Descriptor: (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F.
Deposit date:2004-01-14
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
1P49
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BU of 1p49 by Molmil
Structure of Human Placental Estrone/DHEA Sulfatase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PHOSPHATE ION, ...
Authors:Hernandez-Guzman, F.G, Higashiyama, T, Pangborn, W, Osawa, Y, Ghosh, D.
Deposit date:2003-04-21
Release date:2003-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Human Estrone Sulfatase Suggests Functional Roles of Membrane Association
J.Biol.Chem., 278, 2003
1KP6
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BU of 1kp6 by Molmil
USTILAGO MAYDIS KILLER TOXIN KP6 ALPHA-SUBUNIT
Descriptor: PROTEIN (TOXIN), SULFATE ION
Authors:Li, N, Erman, M, Pangborn, W, Duax, W.L, Park, C.-M, Bruenn, J, Ghosh, D.
Deposit date:1999-05-28
Release date:1999-07-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Ustilago maydis killer toxin KP6 alpha-subunit. A multimeric assembly with a central pore.
J.Biol.Chem., 274, 1999
1DAJ
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BU of 1daj by Molmil
COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Gangjee, A, Devraj, R, Queener, S.F, Blakley, R.L.
Deposit date:1997-07-29
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparison of ternary complexes of Pneumocystis carinii and wild-type human dihydrofolate reductase with coenzyme NADPH and a novel classical antitumor furo[2,3-d]pyrimidine antifolate.
Acta Crystallogr.,Sect.D, 53, 1997
1BEN
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BU of 1ben by Molmil
INSULIN COMPLEXED WITH 4-HYDROXYBENZAMIDE
Descriptor: 4-HYDROXYBENZAMIDE, CHLORIDE ION, HUMAN INSULIN, ...
Authors:Smith, G.D, Ciszak, E, Pangborn, W.
Deposit date:1996-02-15
Release date:1996-07-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A novel complex of a phenolic derivative with insulin: structural features related to the T-->R transition.
Protein Sci., 5, 1996
1VJ3
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BU of 1vj3 by Molmil
STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE.
Descriptor: ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Rak, D, Luft, J.R, Queener, S.F, Laughton, C.A, Malcolm, F.G.
Deposit date:2004-01-13
Release date:2004-01-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate.
Biochemistry, 39, 2000
1CLE
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BU of 1cle by Molmil
STRUCTURE OF UNCOMPLEXED AND LINOLEATE-BOUND CANDIDA CYLINDRACEA CHOLESTEROL ESTERASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL ESTERASE, ...
Authors:Ghosh, D.
Deposit date:1995-02-08
Release date:1996-03-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of uncomplexed and linoleate-bound Candida cylindracea cholesterol esterase.
Structure, 3, 1995
1F90
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BU of 1f90 by Molmil
FAB FRAGMENT OF MONOCLONAL ANTIBODY (LNKB-2) AGAINST HUMAN INTERLEUKIN-2 IN COMPLEX WITH ANTIGENIC PEPTIDE
Descriptor: ANTIGENIC NONAPEPTIDE, FAB FRAGMENT OF MONOCLONAL ANTIBODY
Authors:Afonin, P.V, Fokin, A.V, Tsigannik, I.N, Mikhailova, I.Y, Onoprienko, L.V, Mikhaleva, I.I, Ivanov, V.T, Mareeva, T.Y, Nesmeyanov, V.A, Li, N, Duax, W.L, Pletnev, V.Z.
Deposit date:2000-07-06
Release date:2001-07-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of an anti-interleukin-2 monoclonal antibody Fab complexed with an antigenic nonapeptide.
Protein Sci., 10, 2001
1U70
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BU of 1u70 by Molmil
Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase
Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V.
Deposit date:2004-08-02
Release date:2005-02-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Understanding the role of Leu22 variants in methotrexate resistance: comparison of wild-type and Leu22Arg variant mouse and human dihydrofolate reductase ternary crystal complexes with methotrexate and NADPH.
Acta Crystallogr.,Sect.D, 61, 2005
1MVT
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BU of 1mvt by Molmil
Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase
Descriptor: 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A.
Deposit date:2002-09-26
Release date:2003-04-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1MVS
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BU of 1mvs by Molmil
Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase
Descriptor: 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A.
Deposit date:2002-09-26
Release date:2003-04-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1HDC
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BU of 1hdc by Molmil
MECHANISM OF INHIBITION OF 3ALPHA,20BETA-HYDROXYSTEROID DEHYDROGENASE BY A LICORICE-DERIVED STEROIDAL INHIBITOR
Descriptor: 3-ALPHA, 20 BETA-HYDROXYSTEROID DEHYDROGENASE, CARBENOXOLONE
Authors:Ghosh, D.
Deposit date:1994-10-21
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of inhibition of 3 alpha, 20 beta-hydroxysteroid dehydrogenase by a licorice-derived steroidal inhibitor.
Structure, 2, 1994
1IE4
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BU of 1ie4 by Molmil
RAT TRANSTHYRETIN COMPLEX WITH THYROXINE (T4)
Descriptor: 3,5,3',5'-TETRAIODO-L-THYRONINE, TRANSTHYRETIN
Authors:Wojtczak, A.
Deposit date:2001-04-06
Release date:2002-04-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of rat transthyretin (rTTR) complex with thyroxine at 2.5 A resolution: first non-biased insight into thyroxine binding reveals different hormone orientation in two binding sites.
Acta Crystallogr.,Sect.D, 57, 2001
1BHS
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BU of 1bhs by Molmil
HUMAN ESTROGENIC 17BETA-HYDROXYSTEROID DEHYDROGENASE
Descriptor: 17BETA-HYDROXYSTEROID DEHYDROGENASE
Authors:Ghosh, D.
Deposit date:1995-04-19
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human estrogenic 17 beta-hydroxysteroid dehydrogenase at 2.20 A resolution.
Structure, 3, 1995
3EQM
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BU of 3eqm by Molmil
Crystal structure of human placental aromatase cytochrome P450 in complex with androstenedione
Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
Authors:Ghosh, D.
Deposit date:2008-10-01
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for androgen specificity and oestrogen synthesis in human aromatase.
Nature, 457, 2009
1U72
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BU of 1u72 by Molmil
Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrfolate Reductase Ternary Crystal Complexes with Methotrexate and NADPH
Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V.
Deposit date:2004-08-02
Release date:2005-02-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Understanding the role of Leu22 variants in methotrexate resistance: comparison of wild-type and Leu22Arg variant mouse and human dihydrofolate reductase ternary crystal complexes with methotrexate and NADPH.
Acta Crystallogr.,Sect.D, 61, 2005
1F8T
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BU of 1f8t by Molmil
FAB (LNKB-2) OF MONOCLONAL ANTIBODY, CRYSTAL STRUCTURE
Descriptor: ANTIBODY FAB FRAGMENT (HEAVY CHAIN), ANTIBODY FAB FRAGMENT (LIGHT CHAIN)
Authors:Fokin, A.V, Afonin, P.V, Mikhailova, I.I, Tsygannik, I.N, Mareeva, T.I.
Deposit date:2000-07-05
Release date:2001-07-05
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Spatial structure of a Fab-fragment of a monoclonal antibody to human interleukin-2 in two crystalline forms at a resolution of 2.2 and 2.9 angstroms
Bioorg.Khim., 26, 2000
1E26
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BU of 1e26 by Molmil
Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent.
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gangjee, A, Yu, J, McGuire, J.J, Cody, V, Galitsky, N, Kisliuk, R.L, Queener, S.F.
Deposit date:2000-05-17
Release date:2001-05-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand-Induced Conformational Changes in the Crystal Structures of Pneumocystis Carinii Dihydrofolate Reductase Complexes with Folate and Nadp+
Biochemistry, 38, 1999

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