4LVF
 
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4LVA
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4BWM
 | | KlenTaq mutant in complex with a RNA/DNA hybrid | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOCP)-3', 5'-R(*AP*AP*AP*GP*GP*GP*CP*GP*CP*CP*GP*UP*GP*GP*UP*C)-3', ... | | Authors: | Blatter, N, Bergen, K, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2013-07-03 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Structure and Function of an RNA-Reading Thermostable DNA Polymerase.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4BWJ
 | | KlenTaq mutant in complex with DNA and ddCTP | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOCP)-3', ... | | Authors: | Blatter, N, Bergen, K, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2013-07-03 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and Function of an RNA-Reading Thermostable DNA Polymerase.
Angew.Chem.Int.Ed.Engl., 52, 2013
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1FGV
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4DI2
 | | Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 | | Descriptor: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2012-01-30 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.
J.Med.Chem., 55, 2012
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4DH6
 | | Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide | | Descriptor: | (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ... | | Authors: | Sickmier, E.A. | | Deposit date: | 2012-01-27 | | Release date: | 2012-04-18 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid.
J.Med.Chem., 55, 2012
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7QE9
 | | Human cationic trypsin (TRY1) complexed with serine protease inhibitor Kazal type 1 N34S (SPINK1 N34S) | | Descriptor: | SULFATE ION, Serine protease inhibitor Kazal-type 1, Trypsin-1 | | Authors: | Nagel, F, Palm, G.J, Delcea, M, Lammers, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Biophysical Insights into SPINK1 Bound to Human Cationic Trypsin.
Int J Mol Sci, 23, 2022
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7QE8
 | | Human cationic trypsin (TRY1) complexed with serine protease inhibitor Kazal type 1 (SPINK1) | | Descriptor: | SULFATE ION, Serine protease inhibitor Kazal-type 1, Trypsin-1 | | Authors: | Nagel, F, Palm, G.J, Delcea, M, Lammers, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Biophysical Insights into SPINK1 Bound to Human Cationic Trypsin.
Int J Mol Sci, 23, 2022
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4O34
 | | Room temperature macromolecular serial crystallography using synchrotron radiation | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Stellato, F, Oberthuer, D, Liang, M, Bean, R, Gati, C, Yefanov, O, Barty, A, Burkhardt, A, Fischer, P, Galli, L, Kirian, R.A, Mayer, J, Pannerselvam, S, Yoon, C.H, Chervinskii, F, Speller, E, White, T.A, Betzel, C, Meents, A, Chapman, H.N. | | Deposit date: | 2013-12-18 | | Release date: | 2014-06-11 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Room-temperature macromolecular serial crystallography using synchrotron radiation.
IUCrJ, 1, 2014
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5E89
 | | Crystal structure of Human galectin-3 CRD in complex with 3-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor | | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | | Authors: | Collins, P.M, Blanchard, H. | | Deposit date: | 2015-10-13 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition.
Chembiochem, 17, 2016
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5E8A
 | | Crystal structure of Human galectin-3 CRD in complex with 4-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor | | Descriptor: | 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | | Authors: | Collins, P.M, Blanchard, H. | | Deposit date: | 2015-10-13 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition.
Chembiochem, 17, 2016
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2Z31
 | | Crystal structure of immune receptor complex | | Descriptor: | H-2 class II histocompatibility antigen, A-U alpha chain, A-U beta chain precursor, ... | | Authors: | Feng, D, Bond, C.J, Ely, L.K, Garcia, K.C. | | Deposit date: | 2007-05-30 | | Release date: | 2007-10-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural evidence for a germline-encoded T cell receptor-major histocompatibility complex interaction 'codon'
Nat.Immunol., 8, 2007
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5E88
 | | Crystal structure of Human galectin-3 CRD in complex with thienyl-1,2,3-triazolyl thiodigalactoside inhibitor | | Descriptor: | 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | | Authors: | Collins, P.M, Blanchard, H. | | Deposit date: | 2015-10-13 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition.
Chembiochem, 17, 2016
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2Z35
 | | Crystal structure of immune receptor | | Descriptor: | T-cell receptor alpha-chain, T-cell receptor beta-chain | | Authors: | Feng, D, Bond, C.J, Ely, L.K, Garcia, K.C. | | Deposit date: | 2007-06-01 | | Release date: | 2007-10-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural evidence for a germline-encoded T cell receptor-major histocompatibility complex interaction 'codon'
Nat.Immunol., 8, 2007
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1KKD
 | | Solution structure of the calmodulin binding domain (CaMBD) of small conductance Ca2+-activated potassium channels (SK2) | | Descriptor: | Small conductance calcium-activated potassium channel protein 2 | | Authors: | Wissmann, R, Bildl, W, Neumann, H, Rivard, A.F, Kloecker, N, Weitz, D, Schulte, U, Adelman, J.P, Bentrop, D, Fakler, B. | | Deposit date: | 2001-12-07 | | Release date: | 2001-12-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A helical region in the C terminus of small-conductance Ca2+-activated K+ channels controls assembly with apo-calmodulin.
J.Biol.Chem., 277, 2002
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5C2Y
 | | Crystal structure of the Saccharomyces cerevisiae Rtr1 (regulator of transcription) | | Descriptor: | GLYCEROL, RNA polymerase II subunit B1 CTD phosphatase RTR1, SULFATE ION, ... | | Authors: | Yogesha, S.D, Irani, S, Zhang, Y.J. | | Deposit date: | 2015-06-16 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Saccharomyces cerevisiae Rtr1 reveals an active site for an atypical phosphatase.
Sci.Signal., 9, 2016
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5VG2
 | | Intradiol ring-cleavage Dioxygenase from Tetranychus urticae | | Descriptor: | CACODYLATE ION, FE (III) ION, Intradiol ring-cleavage Dioxygenase | | Authors: | Schlachter, C, Klapper, V, Chruszcz, M. | | Deposit date: | 2017-04-10 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
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6BDJ
 | | Crystal structure of dioxygenase Tetur07g02040 | | Descriptor: | FE (III) ION, Tetur07g02040 | | Authors: | Daneshian, L, Schlachter, C.R, Chruszcz, M. | | Deposit date: | 2017-10-23 | | Release date: | 2018-11-14 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
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2PXY
 | | Crystal structures of immune receptor complexes | | Descriptor: | H-2 class II histocompatibility antigen, A-U alpha chain, A-U beta chain, ... | | Authors: | Feng, D, Bond, C.J, Ely, L.K, Garcia, K.C. | | Deposit date: | 2007-05-14 | | Release date: | 2007-10-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural evidence for a germline-encoded T cell receptor-major histocompatibility complex interaction 'codon'.
Nat.Immunol., 8, 2007
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