5I8U
 
 | | Crystal Structure of the RV1700 (MT ADPRASE) E142Q mutant | | Descriptor: | ADP-ribose pyrophosphatase, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Thirawatananond, P, Kang, L.-W, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2016-02-19 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and mutational studies of the adenosine diphosphate ribose hydrolase from Mycobacterium tuberculosis.
J. Bioenerg. Biomembr., 48, 2016
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1KBQ
 | | Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936) | | Descriptor: | 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Faig, M, Bianchet, M.A, Amzel, L.M. | | Deposit date: | 2001-11-06 | | Release date: | 2002-01-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
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1KBO
 | | Complex of Human recombinant NAD(P)H:Quinone Oxide reductase type 1 with 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione (ES1340) | | Descriptor: | 5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Faig, M, Bianchet, M.A, Amzel, L.M. | | Deposit date: | 2001-11-06 | | Release date: | 2002-01-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
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4TXI
 | | Construct of MICAL-1 containing the monooxygenase and calponin homology domains | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Alqassim, S.S, Amzel, L.M, Bianchet, M.A. | | Deposit date: | 2014-07-03 | | Release date: | 2016-01-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.309 Å) | | Cite: | Modulation of MICAL Monooxygenase Activity by its Calponin Homology Domain: Structural and Mechanistic Insights.
Sci Rep, 6, 2016
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4TXK
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2CK0
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7UV0
 | | Structure of the sodium/iodide symporter (NIS) in complex with iodide and sodium | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, IODIDE ION, SODIUM ION, ... | | Authors: | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | | Deposit date: | 2022-04-29 | | Release date: | 2022-12-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
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7UUY
 | | Structure of the sodium/iodide symporter (NIS) | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Sodium/iodide cotransporter | | Authors: | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | | Deposit date: | 2022-04-29 | | Release date: | 2022-12-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
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7UUZ
 | | Structure of the sodium/iodide symporter (NIS) in complex with perrhenate and sodium | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, PERRHENATE, SODIUM ION, ... | | Authors: | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | | Deposit date: | 2022-04-29 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
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3KDB
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006 | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | | Authors: | Chufan, E.E, Lafont, V, Freire, E, Amzel, L.M. | | Deposit date: | 2009-10-22 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
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3KDC
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10074 | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M. | | Deposit date: | 2009-10-22 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
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3KDD
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10265 | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | | Authors: | Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M. | | Deposit date: | 2009-10-22 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
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6ALA
 | | Crystal structure of H108A 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: | 2017-08-07 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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6E0T
 | | C-terminal domain of Fission Yeast OFD1 | | Descriptor: | Prolyl 3,4-dihydroxylase ofd1 | | Authors: | Bianchet, M.A, Amzel, L.M, Espenshade, P.J, Yeh, T. | | Deposit date: | 2018-07-06 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The hypoxic regulator of sterol synthesis nro1 is a nuclear import adaptor.
Structure, 19, 2011
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6AN3
 | | Crystal structure of H172A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant soaked with peptide (no CuH bound, no peptide bound) | | Descriptor: | COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2017-08-11 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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1MAB
 | | RAT LIVER F1-ATPASE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Bianchet, M.A, Amzel, L.M. | | Deposit date: | 1998-08-06 | | Release date: | 1998-09-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The 2.8-A structure of rat liver F1-ATPase: configuration of a critical intermediate in ATP synthesis/hydrolysis.
Proc.Natl.Acad.Sci.USA, 95, 1998
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6AY0
 | | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide | | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2017-09-07 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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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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6ALV
 | | Crystal structure of H107A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant (no CuH bound) | | Descriptor: | AZIDE ION, COPPER (II) ION, GLYCEROL, ... | | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2017-08-08 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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6AO6
 | | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) | | Descriptor: | COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2017-08-15 | | Release date: | 2018-07-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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3Q4I
 | | Crystal structure of CDP-Chase in complex with Gd3+ | | Descriptor: | GADOLINIUM ION, Phosphohydrolase (MutT/nudix family protein) | | Authors: | Duong-Ly, K.C, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2010-12-23 | | Release date: | 2011-07-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Nudix Hydrolase CDP-Chase, a CDP-Choline Pyrophosphatase, Is an Asymmetric Dimer with Two Distinct Enzymatic Activities.
J.Bacteriol., 193, 2011
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3Q1P
 | | Crystal structure of CDP-Chase | | Descriptor: | Phosphohydrolase (MutT/nudix family protein), SULFATE ION | | Authors: | Duong-Ly, K.C, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2010-12-17 | | Release date: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Nudix Hydrolase CDP-Chase, a CDP-Choline Pyrophosphatase, Is an Asymmetric Dimer with Two Distinct Enzymatic Activities.
J.Bacteriol., 193, 2011
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6NCT
 | | Structure of p110alpha/niSH2 - vector data collection | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ... | | Authors: | Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2018-12-12 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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3PHM
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4DZW
 | | Crystal Structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-03-01 | | Release date: | 2013-01-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
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