1YUB
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![BU of 1yub by Molmil](/molmil-images/mine/1yub) | SOLUTION STRUCTURE OF AN RRNA METHYLTRANSFERASE (ERMAM) THAT CONFERS MACROLIDE-LINCOSAMIDE-STREPTOGRAMIN ANTIBIOTIC RESISTANCE, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | RRNA METHYLTRANSFERASE | Authors: | Yu, L, Petros, A.M, Schnuchel, A, Zhong, P, Severin, J.M, Walter, K, Holzman, T.F, Fesik, S.W. | Deposit date: | 1997-03-04 | Release date: | 1998-03-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of an rRNA methyltransferase (ErmAM) that confers macrolide-lincosamide-streptogramin antibiotic resistance. Nat.Struct.Biol., 4, 1997
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1RRW
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![BU of 1rrw by Molmil](/molmil-images/mine/1rrw) | DHNA complexed with 9-methylguanine | Descriptor: | 9-METHYLGUANINE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1RS2
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![BU of 1rs2 by Molmil](/molmil-images/mine/1rs2) | DHNA complex with 8-Amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione | Descriptor: | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1RRI
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![BU of 1rri by Molmil](/molmil-images/mine/1rri) | DHNA complex with 3-(5-amino-7-hydroxy-[1,2,3] triazolo [4,5-d]pyrimidin-2-yl)-benzoic acid | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-08 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1RSD
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![BU of 1rsd by Molmil](/molmil-images/mine/1rsd) | DHNA complex with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1R44
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![BU of 1r44 by Molmil](/molmil-images/mine/1r44) | Crystal Structure of VanX | Descriptor: | D-alanyl-D-alanine dipeptidase, ZINC ION | Authors: | Pratt, S.D, Katz, L, Severin, J.M, Holzman, T, Park, C.H. | Deposit date: | 2003-10-03 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Structure of VanX Reveals a Novel Amino-Dipeptidase Involved in Mediating Transposon-Based Vancomycin Resistance Mol.Cell, 2, 1998
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1RS4
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![BU of 1rs4 by Molmil](/molmil-images/mine/1rs4) | DHNA, 7,8-Dihydroneopterin Aldolase complexed with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1RSI
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![BU of 1rsi by Molmil](/molmil-images/mine/1rsi) | DHNA complex with 2-Amino-5-bromo-3-hydroxy-6-phenylpyrimidine | Descriptor: | 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1U68
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![BU of 1u68 by Molmil](/molmil-images/mine/1u68) | DHNA 7,8 DIHYDRONEOPTERIN COMPLEX | Descriptor: | 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2004-07-29 | Release date: | 2004-10-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization. J.MED.CHEM., 47, 2004
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1RRY
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![BU of 1rry by Molmil](/molmil-images/mine/1rry) | DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine | Descriptor: | 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, Dihydroneopterin aldolase | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | Deposit date: | 2003-12-09 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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2QFO
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![BU of 2qfo by Molmil](/molmil-images/mine/2qfo) | HSP90 complexed with A143571 and A516383 | Descriptor: | (3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one, 4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha | Authors: | Park, C.H. | Deposit date: | 2007-06-27 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies. CHEM.BIOL.DRUG DES., 70, 2007
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2QF6
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![BU of 2qf6 by Molmil](/molmil-images/mine/2qf6) | HSP90 complexed with A56322 | Descriptor: | 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE, Heat shock protein HSP 90-alpha | Authors: | Park, C.H. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies. Chem.Biol.Drug Des., 70, 2007
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2QG2
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![BU of 2qg2 by Molmil](/molmil-images/mine/2qg2) | HSP90 complexed with A917985 | Descriptor: | 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE, Heat shock protein HSP 90-alpha | Authors: | Park, C.H. | Deposit date: | 2007-06-28 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies. Chem.Biol.Drug Des., 70, 2007
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2QG0
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![BU of 2qg0 by Molmil](/molmil-images/mine/2qg0) | HSP90 complexed with A943037 | Descriptor: | Heat shock protein HSP 90-alpha, N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | Authors: | Park, C.H. | Deposit date: | 2007-06-28 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies. Chem.Biol.Drug Des., 70, 2007
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2I6A
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![BU of 2i6a by Molmil](/molmil-images/mine/2i6a) | Human Adenosine Kinase in Complex With 5'-Deoxy-5-Iodotubercidin | Descriptor: | 7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, Adenosine kinase | Authors: | Muchmore, S.W. | Deposit date: | 2006-08-28 | Release date: | 2007-01-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. J.Med.Chem., 49, 2006
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2I6B
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![BU of 2i6b by Molmil](/molmil-images/mine/2i6b) | Human Adenosine Kinase in Complex with An Acetylinic Inhibitor | Descriptor: | 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE, Adenosine kinase | Authors: | Muchmore, S.W. | Deposit date: | 2006-08-28 | Release date: | 2007-01-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. J.Med.Chem., 49, 2006
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