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PDB: 79 results

3FGH
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BU of 3fgh by Molmil
Human mitochondrial transcription factor A box B
Descriptor: CADMIUM ION, CHLORIDE ION, SODIUM ION, ...
Authors:Gangelhoff, T.A, Mungalachetty, P, Nix, J, Churchill, M.E.A.
Deposit date:2008-12-06
Release date:2009-04-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis and DNA binding of the HMG domains of the human mitochondrial transcription factor A
Nucleic Acids Res., 37, 2009
5FO2
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BU of 5fo2 by Molmil
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
4J2T
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BU of 4j2t by Molmil
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
1XD3
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BU of 1xd3 by Molmil
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
5A6I
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BU of 5a6i by Molmil
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
5BTQ
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BU of 5btq by Molmil
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
2VQW
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BU of 2vqw by Molmil
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
2VQM
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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:2024-11-20
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
2VQO
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BU of 2vqo by Molmil
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
2VQQ
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BU of 2vqq by Molmil
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
2V5X
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BU of 2v5x by Molmil
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
2VQV
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BU of 2vqv by Molmil
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
2VQJ
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BU of 2vqj by Molmil
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:2024-11-06
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
3IPT
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BU of 3ipt by Molmil
Crystal Structure of Ketosteroid Isomerase Y16S/D40N from Pseudomonas putida with Bound Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Fenn, T.D, Sigala, P.A, Herschlag, D.
Deposit date:2009-08-18
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Dissecting the paradoxical effects of hydrogen bond mutations in the ketosteroid isomerase oxyanion hole.
Proc.Natl.Acad.Sci.USA, 107, 2010
6ZM9
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BU of 6zm9 by Molmil
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
6ZMG
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BU of 6zmg by Molmil
PHAGE SAM LYASE IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE
Descriptor: Chains: A, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Guo, X, Kanchugal P, S, Selmer, M.
Deposit date:2020-07-02
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family.
Elife, 10, 2021
6ZNB
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BU of 6znb by Molmil
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
3OKJ
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BU of 3okj by Molmil
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
2INX
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BU of 2inx by Molmil
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
2BEQ
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BU of 2beq by Molmil
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:2024-11-13
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
2BEZ
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BU of 2bez by Molmil
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
1MZI
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BU of 1mzi by Molmil
Solution ensemble structures of HIV-1 gp41 2F5 mAb epitope
Descriptor: 2F5 epitope of HIV-1 gp41 fusion protein
Authors:Barbato, G, Bianchi, E, Ingallinella, P, Hurni, W.H, Miller, M.D, Ciliberto, G, Cortese, R, Bazzo, R, Shiver, J.W, Pessi, A.
Deposit date:2002-10-08
Release date:2003-09-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural analysis of the epitope of the anti-HIV antibody 2F5 sheds light into its mechanism of neutralization and HIV fusion.
J.Mol.Biol., 330, 2003
1OBQ
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BU of 1obq by Molmil
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:2024-11-13
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
1OBU
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BU of 1obu by Molmil
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:2024-11-13
Method:X-RAY DIFFRACTION (2 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
1GKA
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BU of 1gka by Molmil
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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