1ABN
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1AV1
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2C0T
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![BU of 2c0t by Molmil](/molmil-images/mine/2c0t) | Src family kinase Hck with bound inhibitor A-641359 | Descriptor: | CALCIUM ION, N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | Deposit date: | 2005-09-07 | Release date: | 2006-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection. Bioorg.Med.Chem.Lett., 16, 2006
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2C0O
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![BU of 2c0o by Molmil](/molmil-images/mine/2c0o) | Src family kinase Hck with bound inhibitor A-770041 | Descriptor: | CALCIUM ION, N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | Deposit date: | 2005-09-06 | Release date: | 2006-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection. Bioorg.Med.Chem.Lett., 16, 2006
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2C0I
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![BU of 2c0i by Molmil](/molmil-images/mine/2c0i) | Src family kinase Hck with bound inhibitor A-420983 | Descriptor: | CALCIUM ION, N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | Deposit date: | 2005-09-03 | Release date: | 2006-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection. Bioorg.Med.Chem.Lett., 16, 2006
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1KMV
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![BU of 1kmv by Molmil](/molmil-images/mine/1kmv) | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9662), A LIPOPHILIC ANTIFOLATE | Descriptor: | (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, DIMETHYL SULFOXIDE, ... | Authors: | Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W. | Deposit date: | 2001-12-17 | Release date: | 2002-07-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution. J.Mol.Biol., 320, 2002
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1KMS
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![BU of 1kms by Molmil](/molmil-images/mine/1kms) | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE | Descriptor: | 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W. | Deposit date: | 2001-12-17 | Release date: | 2002-07-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution. J.Mol.Biol., 320, 2002
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2W3M
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2W3A
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4E20
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3KA0
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3KC3
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![BU of 3kc3 by Molmil](/molmil-images/mine/3kc3) | MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine | Descriptor: | MAP kinase-activated protein kinase 2, N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine | Authors: | Argiriadi, M.A, Talanian, R.V, Borhani, D.W. | Deposit date: | 2009-10-20 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode. Bioorg.Med.Chem.Lett., 20, 2010
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4E1Z
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1FSG
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![BU of 1fsg by Molmil](/molmil-images/mine/1fsg) | TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH 9-DEAZAGUANINE, ALPHA-D-5-PHOSPHORIBOSYL-1-PYROPHOSPHATE (PRPP) AND TWO MG2+ IONS | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 9-DEAZAGUANINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ... | Authors: | Heroux, A, White, E.L, Ross, L.J, Kuzin, A.P, Borhani, D.W. | Deposit date: | 2000-09-08 | Release date: | 2000-12-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Substrate deformation in a hypoxanthine-guanine phosphoribosyltransferase ternary complex: the structural basis for catalysis. Structure Fold.Des., 8, 2000
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1RQ7
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![BU of 1rq7 by Molmil](/molmil-images/mine/1rq7) | MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH GDP | Descriptor: | Cell division protein ftsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Leung, A.K.W, White, E.L, Ross, L.J, Reynolds, R.C, DeVito, J.A, Borhani, D.W. | Deposit date: | 2003-12-04 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches. J.Mol.Biol., 342, 2004
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1RLU
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![BU of 1rlu by Molmil](/molmil-images/mine/1rlu) | Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein ftsZ, GLYCEROL | Authors: | Leung, A.K.W, White, E.L, Ross, L.J, Reynolds, R.C, DeVito, J.A, Borhani, D.W. | Deposit date: | 2003-11-26 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches. J.Mol.Biol., 342, 2004
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1RQ2
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![BU of 1rq2 by Molmil](/molmil-images/mine/1rq2) | MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH CITRATE | Descriptor: | CITRIC ACID, Cell division protein ftsZ | Authors: | Leung, A.K.W, White, E.L, Ross, L.J, Reynolds, R.C, DeVito, J.A, Borhani, D.W. | Deposit date: | 2003-12-04 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches. J.Mol.Biol., 342, 2004
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1QK5
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![BU of 1qk5 by Molmil](/molmil-images/mine/1qk5) | TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE WITH XMP, PYROPHOSPHATE AND TWO MG2+ IONS | Descriptor: | HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Heroux, A, White, E.L, Ross, L.J, Davis, R.L, Borhani, D.W. | Deposit date: | 1999-07-09 | Release date: | 1999-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase with Xmp, Pyrophosphate and Two Mg2+ Ions Bound: Insights Into the Catalytic Mechanism Biochemistry, 38, 1999
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1QK3
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![BU of 1qk3 by Molmil](/molmil-images/mine/1qk3) | TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE GMP COMPLEX | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE | Authors: | Heroux, A, White, E.L, Ross, L.J, Borhani, D.W. | Deposit date: | 1999-07-09 | Release date: | 1999-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structures of the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Gmp and -Imp Complexes: Comparison of Purine Binding Interactions with the Xmp Complex Biochemistry, 38, 1999
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1QK4
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![BU of 1qk4 by Molmil](/molmil-images/mine/1qk4) | TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE IMP COMPLEX | Descriptor: | HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, INOSINIC ACID | Authors: | Heroux, A, White, E.L, Ross, L.J, Borhani, D.W. | Deposit date: | 1999-07-09 | Release date: | 1999-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Gmp and -Imp Complexes: Comparison of Purine Binding Interactions with the Xmp Complex Biochemistry, 38, 1999
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2VXU
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![BU of 2vxu by Molmil](/molmil-images/mine/2vxu) | Crystal structure of murine reference antibody 125-2H Fab fragment | Descriptor: | MURINE IGG 125-2H | Authors: | Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W. | Deposit date: | 2008-07-10 | Release date: | 2009-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18. J.Biol.Chem., 284, 2009
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2W3B
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![BU of 2w3b by Molmil](/molmil-images/mine/2w3b) | HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR MYCOBACTERIUM AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686) | Descriptor: | 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, FOLIC ACID, ... | Authors: | Leung, A.K.W, Reynolds, R.C, Borhani, D.W. | Deposit date: | 2008-11-11 | Release date: | 2009-11-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate To be Published
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2W3W
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![BU of 2w3w by Molmil](/molmil-images/mine/2w3w) | MYCOBACTERIUM AVIUM DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR M. AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686) | Descriptor: | 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Leung, A.K.W, Reynolds, R.C, Borhani, D.W. | Deposit date: | 2008-11-16 | Release date: | 2009-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate To be Published
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2VXV
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![BU of 2vxv by Molmil](/molmil-images/mine/2vxv) | Crystal structure of human IgG ABT-325 Fab Fragment | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, HUMAN IGG ABT-325 | Authors: | Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W. | Deposit date: | 2008-07-10 | Release date: | 2009-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18. J.Biol.Chem., 284, 2009
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2VXT
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![BU of 2vxt by Molmil](/molmil-images/mine/2vxt) | Crystal structure of human IL-18 complexed to murine reference antibody 125-2H Fab | Descriptor: | CHLORIDE ION, INTERLEUKIN-18, MAGNESIUM ION, ... | Authors: | Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W. | Deposit date: | 2008-07-10 | Release date: | 2009-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18. J.Biol.Chem., 284, 2009
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