6AMP
| Crystal structure of H172A PHM (CuH absent, CuM present) | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-10 | Release date: | 2018-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
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3FCK
| Complex of UNG2 and a fragment-based design inhibitor | Descriptor: | 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid, Uracil-DNA glycosylase | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | Deposit date: | 2008-11-21 | Release date: | 2009-04-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor Nat.Chem.Biol., 5, 2009
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3FCI
| Complex of UNG2 and a fragment-based designed inhibitor | Descriptor: | 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid, SODIUM ION, THIOCYANATE ION, ... | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | Deposit date: | 2008-11-21 | Release date: | 2009-04-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor Nat.Chem.Biol., 5, 2009
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3FCF
| Complex of UNG2 and a fragment-based designed inhibitor | Descriptor: | 3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | Deposit date: | 2008-11-21 | Release date: | 2009-04-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor Nat.Chem.Biol., 5, 2009
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3FCL
| Complex of UNG2 and a fragment-based designed inhibitor | Descriptor: | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase | Authors: | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | Deposit date: | 2008-11-21 | Release date: | 2009-04-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Impact of linker strain and flexibility in the design of a fragment-based inhibitor Nat.Chem.Biol., 5, 2009
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5WJA
| Crystal structure of H107A peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with citrate | Descriptor: | CITRATE ANION, COPPER (II) ION, GLYCEROL, ... | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-07-21 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
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5WKW
| Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM) | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-07-25 | Release date: | 2018-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
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5WM0
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1G0S
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1G9Q
| COMPLEX STRUCTURE OF THE ADPR-ASE AND ITS SUBSTRATE ADP-RIBOSE | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, HYPOTHETICAL 23.7 KDA PROTEIN IN ICC-TOLC INTERGENIC REGION | Authors: | Gabelli, S.B, Bianchet, M.A, Bessman, M.J, Amzel, L.M. | Deposit date: | 2000-11-27 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of ADP-ribose pyrophosphatase reveals the structural basis for the versatility of the Nudix family. Nat.Struct.Biol., 8, 2001
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2O4L
| Crystal Structure of HIV-1 Protease (Q7K, I50V) in Complex with Tipranavir | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, ... | Authors: | Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | Deposit date: | 2006-12-04 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
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2O5W
| Structure of the E. coli dihydroneopterin triphosphate pyrophosphohydrolase in complex with Sm+3 and pyrophosphate | Descriptor: | PYROPHOSPHATE, SAMARIUM (III) ION, SODIUM ION, ... | Authors: | Gabelli, S.B, Bianchet, M.A, Amzel, L.M. | Deposit date: | 2006-12-06 | Release date: | 2007-08-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and function of the E. coli dihydroneopterin triphosphate pyrophosphatase: a Nudix enzyme involved in folate biosynthesis. Structure, 15, 2007
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2O4K
| Crystal Structure of HIV-1 Protease (Q7K) in Complex with Atazanavir | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, CHLORIDE ION, ... | Authors: | Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | Deposit date: | 2006-12-04 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
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2O1C
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2O4N
| Crystal Structure of HIV-1 Protease (TRM Mutant) in Complex with Tipranavir | Descriptor: | GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease | Authors: | Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | Deposit date: | 2006-12-04 | Release date: | 2006-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
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2O4P
| Crystal Structure of HIV-1 Protease (Q7K) in Complex with Tipranavir | Descriptor: | GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease | Authors: | Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | Deposit date: | 2006-12-04 | Release date: | 2006-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
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3HUD
| THE STRUCTURE OF HUMAN BETA 1 BETA 1 ALCOHOL DEHYDROGENASE: CATALYTIC EFFECTS OF NON-ACTIVE-SITE SUBSTITUTIONS | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Hurley, T.D, Bosron, W.F, Hamilton, J.A, Amzel, L.M. | Deposit date: | 1993-01-04 | Release date: | 1994-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of human beta 1 beta 1 alcohol dehydrogenase: catalytic effects of non-active-site substitutions. Proc.Natl.Acad.Sci.USA, 88, 1991
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2O4S
| Crystal Structure of HIV-1 Protease (Q7K) in Complex with Lopinavir | Descriptor: | CHLORIDE ION, GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | Authors: | Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | Deposit date: | 2006-12-04 | Release date: | 2006-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
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2OXM
| Crystal structure of a UNG2/modified DNA complex that represent a stabilized short-lived extrahelical state in ezymatic DNA base flipping | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*AP*TP*(4MF)P*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*AP*TP*CP*TP*T)-3'), Uracil-DNA glycosylase | Authors: | Bianchet, M.A, Krosky, D.J, Stivers, J.T, Amzel, L.M. | Deposit date: | 2007-02-20 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Enzymatic capture of an extrahelical thymine in the search for uracil in DNA. Nature, 449, 2007
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2OYT
| Crystal Structure of UNG2/DNA(TM) | Descriptor: | DNA strand1, DNA strand2, Uracil-DNA glycosylase | Authors: | Bianchet, M.A, Krosky, D.J, Stivers, J.T, Amzel, L.M. | Deposit date: | 2007-02-22 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enzymatic capture of an extrahelical thymine in the search for uracil in DNA. Nature, 449, 2007
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2QR2
| HUMAN QUINONE REDUCTASE TYPE 2, COMPLEX WITH MENADIONE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MENADIONE, PROTEIN (QUINONE REDUCTASE TYPE 2), ... | Authors: | Foster, C, Bianchet, M.A, Talalay, P, Amzel, L.M. | Deposit date: | 1999-04-19 | Release date: | 1999-08-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of human quinone reductase type 2, a metalloflavoprotein. Biochemistry, 38, 1999
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1Q3F
| Uracil DNA glycosylase bound to a cationic 1-aza-2'-deoxyribose-containing DNA | Descriptor: | 5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*A)-3', 5'-D(*TP*GP*TP*(NRI)P*AP*TP*CP*TP*T)-3', PHOSPHATE ION, ... | Authors: | Bianchet, M.A, Seiple, L.A, Jiang, Y.L, Ichikawa, Y, Amzel, L.M, Stivers, J.T. | Deposit date: | 2003-07-29 | Release date: | 2004-03-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Electrostatic guidance of glycosyl cation migration along the reaction coordinate of uracil DNA glycosylase. Biochemistry, 42, 2003
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1OPM
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1NQY
| The structure of a CoA pyrophosphatase from D. Radiodurans | Descriptor: | CoA pyrophosphatase (MutT/nudix family protein) | Authors: | Kang, L.W, Gabelli, S.B, Bianchet, M.A, Xu, W.L, Bessman, M.J, Amzel, L.M. | Deposit date: | 2003-01-23 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of a coenzyme A pyrophosphatase from Deinococcus radiodurans: a member of the Nudix family. J.Bacteriol., 185, 2003
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5SW8
| Crystal structure of PI3Kalpha in complex with fragments 7 and 11 | Descriptor: | 2-CHLOROBENZENESULFONAMIDE, 2H-indazol-5-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-08 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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