7JNZ
 
 | | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Andring, J.T, McKenna, R. | | Deposit date: | 2020-08-05 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.289 Å) | | Cite: | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
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4PBT
 | | Crystal structure of the M. jannaschii G2 tRNA synthetase variant bound to 4-trans-cyclooctene-amidopheylalanine (Tco-amF) | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 4-{[(1R,4E)-cyclooct-4-en-1-ylcarbonyl]amino}-L-phenylalanine, GLYCEROL, ... | | Authors: | Cooley, R.B, Karplus, P.A, Mehl, R.A. | | Deposit date: | 2014-04-13 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Gleaning Unexpected Fruits from Hard-Won Synthetases: Probing Principles of Permissivity in Non-canonical Amino Acid-tRNA Synthetases.
Chembiochem, 15, 2014
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4CSK
 | | human Aquaporin | | Descriptor: | AQUAPORIN-1 | | Authors: | Ruiz-Carrillo, D, To-Yiu-Ying, J, Darwis, D, Soon, C.H, Cornvik, T, Torres, J, Lescar, J. | | Deposit date: | 2014-03-08 | | Release date: | 2014-12-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Crystallization and Preliminary Crystallographic Analysis of Human Aquaporin 1 at a Resolution of 3.28 A.
Acta Crystallogr.,Sect.F, 70, 2014
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4PF3
 | | Mineralocorticoid receptor ligand-binding domain with compuond 37a | | Descriptor: | 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2014-04-28 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
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1S22
 | | Absolute Stereochemistry of Ulapualide A | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Allingham, J.S, Tanaka, J, Marriott, G, Rayment, I. | | Deposit date: | 2004-01-07 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Absolute stereochemistry of ulapualide A
Org.Lett., 6, 2004
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3S4Y
 | | Crystal structure of human thiamin pyrophosphokinase 1 | | Descriptor: | CALCIUM ION, SULFATE ION, THIAMINE DIPHOSPHATE, ... | | Authors: | Shen, L, Tempel, W, Tong, Y, Li, Y, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-05-20 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human thiamin pyrophosphokinase 1
to be published
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1ZBX
 | | Crystal structure of a Orc1p-Sir1p complex | | Descriptor: | Origin recognition complex subunit 1, Regulatory protein SIR1 | | Authors: | Hsu, H.C, Stillman, B, Xu, R.M. | | Deposit date: | 2005-04-09 | | Release date: | 2005-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for origin recognition complex 1 protein-silence information regulator 1 protein interaction in epigenetic silencing
Proc.Natl.Acad.Sci.USA, 102, 2005
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4K42
 | | Crystal structure of actin in complex with synthetic AplC tail analogue SF01 [(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate] | | Descriptor: | (3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | Authors: | Pereira, J.H, Petchprayoon, C, Moriarty, N.W, Fink, S.J, Cecere, G, Paterson, I, Adams, P.D, Marriott, G. | | Deposit date: | 2013-04-11 | | Release date: | 2014-10-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and biochemical studies of actin in complex with synthetic macrolide tail analogues.
Chemmedchem, 9, 2014
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1L1R
 | | Crystal Structure of APRTase from Giardia lamblia Complexed with 9-deazaadenine, Mg2+ and PRPP | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 9-DEAZAADENINE, Adenine phosphoribosyltransferase, ... | | Authors: | Shi, W, Sarver, A.E, Wang, C.C, Tanaka, K.S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2002-02-19 | | Release date: | 2002-11-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Closed Site Complexes of Adenine Phosphoribosyltransferase from Giardia lamblia
Reveal a Mechanism of Ribosyl Migration.
J.Biol.Chem., 277, 2002
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1HIC
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3C18
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2R2Q
 | | Crystal structure of human Gamma-Aminobutyric Acid Receptor-Associated Protein-like 1 (GABARAP1), Isoform CRA_a | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Gamma-aminobutyric acid receptor-associated protein-like 1, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Paramanathan, R, Davis, T, Mujib, S, Butler-Cole, C, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-08-27 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of human Gamma-Aminobutyric Acid Receptor-Associated Protein-like 1 (GABARAP1), Isoform CRA_a.
To be Published
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2WM0
 | | Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline thioamide. | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | | Authors: | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | | Deposit date: | 2009-06-29 | | Release date: | 2010-03-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines.
Angew.Chem.Int.Ed.Engl., 49, 2010
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1NMJ
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1O5X
 | | Plasmodium falciparum TIM complexed to 2-phosphoglycerate | | Descriptor: | 2-PHOSPHOGLYCERIC ACID, 3-HYDROXYPYRUVIC ACID, PHOSPHITE ION, ... | | Authors: | Parthasarathy, S, Eaazhisai, K, Balaram, H, Balaram, P, Murthy, M.R. | | Deposit date: | 2003-10-06 | | Release date: | 2004-01-13 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of Plasmodium falciparum Triose-phosphate Isomerase-2-Phosphoglycerate Complex at 1.1-A Resolution
J.Biol.Chem., 278, 2003
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4FI6
 | | Kinetic Stabilization of transthyretin through covalent modification of K15 by 3-(5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl)-benzenesulfonamide | | Descriptor: | 3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride, Transthyretin | | Authors: | Connelly, S, Grimster, N, Wilson, I.A, Kelly, J.W. | | Deposit date: | 2012-06-08 | | Release date: | 2013-02-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate.
J.Am.Chem.Soc., 135, 2013
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1SDO
 | | Crystal Structure of Restriction Endonuclease BstYI | | Descriptor: | BstYI | | Authors: | Townson, S.A, Samuelson, J.C, Vanamee, E.S, Edwards, T.A, Escalante, C.R, Xu, S.Y, Aggarwal, A.K. | | Deposit date: | 2004-02-13 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of BstYI at 1.85 A Resolution: A Thermophilic Restriction Endonuclease with Overlapping Specificities to BamHI and BglII
J.Mol.Biol., 338, 2004
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4KD1
 | | CDK2 in complex with Dinaciclib | | Descriptor: | 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2 | | Authors: | Martin, M.P, Schonbrunn, E. | | Deposit date: | 2013-04-24 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cyclin-dependent kinase inhibitor dinaciclib interacts with the acetyl-lysine recognition site of bromodomains.
Acs Chem.Biol., 8, 2013
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3EP9
 | | Human AdoMetDC with no putrescine bound | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRUVIC ACID, S-adenosylmethionine decarboxylase alpha chain, ... | | Authors: | Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2008-09-29 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase.
Biochemistry, 47, 2008
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7JRW
 | | Phospholipase D engineered mutant bound to phosphatidic acid (5 day soak) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-13 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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7JRV
 | | Phospholipase D engineered mutant bound to phosphatidic acid (30 minute soak) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-13 | | Release date: | 2021-04-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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4BAD
 | | Hen egg-white lysozyme structure in complex with the europium tris- hydroxymethyltriazoledipicolinate complex at 1.35 A resolution. | | Descriptor: | 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | | Deposit date: | 2012-09-13 | | Release date: | 2012-11-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
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7JRU
 | | Phospholipase D engineered mutant bound to phosphatidic acid (8 hour soak) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Vrielink, A, Samantha, A. | | Deposit date: | 2020-08-13 | | Release date: | 2021-04-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation.
Biochem.J., 478, 2021
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5A63
 | | Cryo-EM structure of the human gamma-secretase complex at 3.4 angstrom resolution. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bai, X, Yan, C, Yang, G, Lu, P, Ma, D, Sun, L, Zhou, R, Scheres, S.H.W, Shi, Y. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-05 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | An Atomic Structure of Human Gamma-Secretase
Nature, 525, 2015
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2AKZ
 | | Fluoride Inhibition of Enolase: Crystal Structure of the Inhibitory Complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLUORIDE ION, Gamma enolase, ... | | Authors: | Qin, J, Chai, G, Brewer, J.M, Lovelace, L.L. | | Deposit date: | 2005-08-04 | | Release date: | 2006-03-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Fluoride inhibition of enolase: crystal structure and thermodynamics
Biochemistry, 45, 2006
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