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1YUB
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BU of 1yub by Molmil
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:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of an rRNA methyltransferase (ErmAM) that confers macrolide-lincosamide-streptogramin antibiotic resistance.
Nat.Struct.Biol., 4, 1997
1U68
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BU of 1u68 by Molmil
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
1R44
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BU of 1r44 by Molmil
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
1RSD
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BU of 1rsd by Molmil
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
1RRW
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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
1RS2
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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
1RRI
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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
1RSI
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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
1RS4
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BU of 1rs4 by Molmil
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
1RRY
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BU of 1rry by Molmil
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
2I6B
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BU of 2i6b by Molmil
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
2I6A
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BU of 2i6a by Molmil
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
2QF6
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BU of 2qf6 by Molmil
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
2QG2
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BU of 2qg2 by Molmil
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
2QG0
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BU of 2qg0 by Molmil
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
2QFO
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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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