4J2T
 
 | | Inhibitor-bound Ca2+ ATPase | | Descriptor: | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate, PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, ... | | Authors: | Paulsen, E.S, Villadsen, J, Tenori, E, Liu, H, Lie, M.A, Bonde, D.F, Bublitz, M, Olesen, C, Autzen, H.E, Dach, I, Sehgal, P, Moller, J.V, Schiott, B, Nissen, P, Christensen, S.B. | | Deposit date: | 2013-02-05 | | Release date: | 2013-06-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.
J.Med.Chem., 56, 2013
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5A6I
 | | V122I Transthyretin structure in complex with Tolcalpone | | Descriptor: | TRANSTHYRETIN, Tolcapone | | Authors: | Reverter, D, Gallego, P, Santana, R, Ventura, S. | | Deposit date: | 2015-06-26 | | Release date: | 2016-02-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Repositioning Tolcapone as a Potent Inhibitor of Transthyretin Amyloidogenesis and its Associated Cellular Toxicity
Nat.Commun., 7, 2016
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2VQW
 | | Structure of inhibitor-free HDAC4 catalytic domain (with gain-of- function mutation His332Tyr) | | Descriptor: | HISTONE DEACETYLASE 4, POTASSIUM ION, ZINC ION | | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | | Deposit date: | 2008-03-19 | | Release date: | 2008-08-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
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2VQM
 | | Structure of HDAC4 catalytic domain bound to a hydroxamic acid inhbitor | | Descriptor: | HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ... | | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | | Deposit date: | 2008-03-17 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
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5BTQ
 | | Crystal structure of human heme oxygenase 1 H25R with biliverdin bound | | Descriptor: | BILIVERDINE IX ALPHA, Heme oxygenase 1, SULFATE ION | | Authors: | Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K. | | Deposit date: | 2015-06-03 | | Release date: | 2016-06-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis
Biochemistry, 55, 2016
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2V5X
 | | Crystal structure of HDAC8-inhibitor complex | | Descriptor: | (2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE, HISTONE DEACETYLASE 8, POTASSIUM ION, ... | | Authors: | Di Marco, S, Vannini, A, Volpari, C, Gallinari, P, Jones, P, Mattu, M, Carfi, A, Defrancesco, R, Steinkuhler, C. | | Deposit date: | 2007-07-10 | | Release date: | 2007-09-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Substrate Binding to Histone Deacetylases as Revealed by Crystal Structure of Hdac8-Substrate Complex
Embo Rep., 8, 2007
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2VQO
 | | Structure of HDAC4 catalytic domain with a gain-of-function muation bound to a trifluoromethylketone inhbitor | | Descriptor: | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, POTASSIUM ION, ... | | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | | Deposit date: | 2008-03-18 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
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2VQQ
 | | Structure of HDAC4 catalytic domain (a double cysteine-to-alanine mutant) bound to a trifluoromethylketone inhbitor | | Descriptor: | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, POTASSIUM ION, ... | | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | | Deposit date: | 2008-03-18 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
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2VQV
 | | Structure of HDAC4 catalytic domain with a gain-of-function mutation bound to a hydroxamic acid inhibitor | | Descriptor: | HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ... | | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | | Deposit date: | 2008-03-19 | | Release date: | 2008-07-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
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2VQJ
 | | Structure of HDAC4 catalytic domain bound to a trifluoromethylketone inhbitor | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, ... | | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | | Deposit date: | 2008-03-17 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
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3OKJ
 | | Alpha-keto-aldehyde binding mechanism reveals a novel lead structure motif for proteasome inhibition | | Descriptor: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-L-leucinamide, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Poynor, M, Gallastegui, P, Stein, M, Schmidt, B, Kloetzel, P.M, Huber, R. | | Deposit date: | 2010-08-25 | | Release date: | 2011-06-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Elucidation of the alpha-keto-aldehyde binding mechanism: a lead structure motif for proteasome inhibition
Angew.Chem.Int.Ed.Engl., 50, 2011
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3IPT
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5FO2
 | | Structure of human transthyretin mutant A108I | | Descriptor: | TRANSTHYRETIN | | Authors: | Varejao, N, Santanna, R, Saraiva, M.J, Gallego, P, Ventura, S, Reverter, D. | | Deposit date: | 2015-11-17 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation.
Sci Rep, 7, 2017
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6ZM9
 | | PHAGE SAM LYASE IN COMPLEX WITH S-METHYL-5'-THIOADENOSINE | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chains: A, PHOSPHATE ION, ... | | Authors: | Guo, X, Kanchugal P, S, Selmer, M. | | Deposit date: | 2020-07-02 | | Release date: | 2021-02-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family.
Elife, 10, 2021
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6ZMG
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6ZNB
 | | PHAGE SAM LYASE IN APO STATE | | Descriptor: | PHOSPHATE ION, Phage SAM lyase Svi3-3 | | Authors: | Eckhard, U, Kanchugal P, S, Selmer, M. | | Deposit date: | 2020-07-06 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family.
Elife, 10, 2021
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1XD3
 | | Crystal structure of UCHL3-UbVME complex | | Descriptor: | MAGNESIUM ION, METHYL 4-AMINOBUTANOATE, UBC protein, ... | | Authors: | Misaghi, S, Galardy, P.J, Meester, W.J.N, Ovaa, H, Ploegh, H.L, Gaudet, R. | | Deposit date: | 2004-09-03 | | Release date: | 2004-11-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of the Ubiquitin Hydrolase UCH-L3 Complexed with a Suicide Substrate
J.Biol.Chem., 280, 2005
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2BEQ
 | | Structure of a Proteolytically Resistant Core from the Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein | | Descriptor: | Spike glycoprotein | | Authors: | Supekar, V.M, Bruckmann, C, Ingallinella, P, Bianchi, E, Pessi, A, Carfi, A. | | Deposit date: | 2004-11-29 | | Release date: | 2004-12-22 | | Last modified: | 2020-04-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of a Proteolytically Resistant Core from the Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein
Proc.Natl.Acad.Sci.USA, 101, 2004
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2BEZ
 | | Structure of a proteolitically resistant core from the severe acute respiratory syndrome coronavirus S2 fusion protein | | Descriptor: | GLYCEROL, Spike glycoprotein | | Authors: | Supekar, V.M, Bruckmann, C, Ingallinella, P, Bianchi, E, Pessi, A, Carfi, A. | | Deposit date: | 2004-12-02 | | Release date: | 2004-12-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of a Proteolytically Resistant Core from the Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein
Proc.Natl.Acad.Sci.USA, 101, 2004
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2INX
 | | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol | | Descriptor: | 2,6-DIFLUOROPHENOL, Steroid delta-isomerase | | Authors: | Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D. | | Deposit date: | 2006-10-09 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.
J.Am.Chem.Soc., 130, 2008
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1I4U
 | | THE C1 SUBUNIT OF ALPHA-CRUSTACYANIN | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CRUSTACYANIN, SULFATE ION | | Authors: | Gordon, E.J, Leonard, G.A, McSweeney, S, Zagalsky, P.F. | | Deposit date: | 2001-02-23 | | Release date: | 2001-09-19 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | The C1 subunit of alpha-crustacyanin: the de novo phasing of the crystal structure of a 40 kDa homodimeric protein using the anomalous scattering from S atoms combined with direct methods.
Acta Crystallogr.,Sect.D, 57, 2001
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4E4J
 | | Crystal structure of arginine deiminase from Mycoplasma penetrans | | Descriptor: | Arginine deiminase, CHLORIDE ION | | Authors: | Benach, J, Gallego, P, Planell, R, Querol, E, Perez Pons, J.A, Reverter, D. | | Deposit date: | 2012-03-13 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Characterization of the Enzymes Composing the Arginine Deiminase Pathway in Mycoplasma penetrans.
Plos One, 7, 2012
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1GKA
 | | The molecular basis of the coloration mechanism in lobster shell. beta-crustacyanin at 3.2 A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASTAXANTHIN, ... | | Authors: | Cianci, M, Rizkallah, P.J, Olczak, A, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R. | | Deposit date: | 2001-08-10 | | Release date: | 2002-08-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | The Molecular Basis of the Coloration Mechanism in Lobster Shell: Beta -Crustacyanin at 3.2-A Resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
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1H91
 | | The crystal structure of lobster apocrustacyanin A1 using softer X-rays. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CRUSTACYANIN A1 SUBUNIT | | Authors: | Cianci, M, Rizkallah, P.J, Olczak, A, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R. | | Deposit date: | 2001-02-21 | | Release date: | 2001-09-06 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of Lobster Apocrustacyanin A1 Using Softer X-Rays
Acta Crystallogr.,Sect.D, 57, 2001
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1OBQ
 | | Apocrustacyanin C1 crystals grown in space and earth using vapour diffusion geometry | | Descriptor: | CRUSTACYANIN C1 SUBUNIT | | Authors: | Habash, J, Boggon, T.J, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R. | | Deposit date: | 2003-01-31 | | Release date: | 2003-07-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Apocrustacyanin C(1) Crystals Grown in Space and on Earth Using Vapour-Diffusion Geometry: Protein Structure Refinements and Electron-Density Map Comparisons
Acta Crystallogr.,Sect.D, 59, 2003
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