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3EJI
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BU of 3eji by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L36K at cryogenic temperature
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Thermonuclease
Authors:Khangulov, V.S, Schlessman, J.L, Garcia-Moreno, E.B, Benning, M, Isom, D.
Deposit date:2008-09-18
Release date:2008-11-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Consequences of the Ionization of Lysines at 25 Internal Positions in a Protein
To be Published
3EE6
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BU of 3ee6 by Molmil
Crystal Structure Analysis of Tripeptidyl peptidase -I
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Pal, A, Kraetzner, R, Grapp, M, Gruene, T, Schreiber, K, Granborg, M, Urlaub, H, Asif, A.R, Becker, S, Gartner, J, Sheldrick, G.M, Steinfeld, R.
Deposit date:2008-09-04
Release date:2008-11-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of tripeptidyl-peptidase I provides insight into the molecular basis of late infantile neuronal ceroid lipofuscinosis
J.Biol.Chem., 284, 2009
3EEC
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BU of 3eec by Molmil
X-ray structure of human ubiquitin Cd(II) adduct
Descriptor: CADMIUM ION, Ubiquitin
Authors:Falini, G, Fermani, S, Tosi, G, Arnesano, F, Natile, G.
Deposit date:2008-09-04
Release date:2009-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural probing of Zn(II), Cd(II) and Hg(II) binding to human ubiquitin.
Chem.Commun.(Camb.), 45, 2008
3EED
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BU of 3eed by Molmil
Crystal structure of human protein kinase CK2 regulatory subunit (CK2beta; mutant 1-193)
Descriptor: Casein kinase II subunit beta, SULFATE ION, ZINC ION
Authors:Niefind, K, Raaf, J, Issinger, O.-G.
Deposit date:2008-09-04
Release date:2008-09-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The interaction of CK2{alpha} and CK2{beta}, the subunits of protein kinase CK2, requires CK2{beta} in a preformed conformation and is enthalpically driven
Protein Sci., 17, 2008
3ELF
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BU of 3elf by Molmil
Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase, SODIUM ION, ...
Authors:Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D.
Deposit date:2008-09-22
Release date:2009-02-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis
J.Mol.Biol., 386, 2009
3GYL
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BU of 3gyl by Molmil
Structure of Prostasin at 1.3 Angstroms resolution in complex with a Calcium Ion.
Descriptor: CALCIUM ION, GLYCEROL, Prostasin
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2009-04-03
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
3GY7
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BU of 3gy7 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
Descriptor: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
Authors:Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
Deposit date:2009-04-03
Release date:2010-03-23
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3H42
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BU of 3h42 by Molmil
Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody
Descriptor: Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E.
Deposit date:2009-04-17
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 2009
3GY4
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BU of 3gy4 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
Authors:Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
Deposit date:2009-04-03
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3GY2
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BU of 3gy2 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
Descriptor: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
Authors:Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
Deposit date:2009-04-03
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3H0W
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BU of 3h0w by Molmil
Human AdoMetDC with 5'-Deoxy-5'-[(N-dimethyl)amino]-8-methyl-adenosine
Descriptor: 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethylamino)-8-methyladenosine, PYRUVIC ACID, ...
Authors:Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E.
Deposit date:2009-04-10
Release date:2009-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase.
Biochemistry, 48, 2009
3H6S
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BU of 3h6s by Molmil
Structure of clitocypin - cathepsin V complex
Descriptor: Cathepsin L2, Clitocypin analog, SULFATE ION
Authors:Renko, M, Sabotic, J, Brzin, J, Turk, D.
Deposit date:2009-04-23
Release date:2009-10-20
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Versatile loops in mycocypins inhibit three protease families.
J.Biol.Chem., 285, 2010
3GPW
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BU of 3gpw by Molmil
Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: irreversible inhibitor ligand
Descriptor: (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B.
Deposit date:2009-03-23
Release date:2009-09-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
3HBU
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BU of 3hbu by Molmil
PrtC methionine mutants: M226H DESY
Descriptor: CALCIUM ION, CHLORIDE ION, Secreted protease C, ...
Authors:Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U.
Deposit date:2009-05-05
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Metzincin's canonical methionine is responsible for the structural integrity of the zinc-binding site
Biol.Chem., 390, 2009
3H7D
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BU of 3h7d by Molmil
The crystal structure of the cathepsin K Variant M5 in complex with chondroitin-4-sulfate
Descriptor: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Cathepsin K, ...
Authors:Cherney, M.M, Kienetz, M, Bromme, D, James, M.N.G.
Deposit date:2009-04-24
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.242 Å)
Cite:Structure-activity analysis of cathepsin K/chondroitin 4-sulfate interactions.
J.Biol.Chem., 286, 2011
3H8C
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BU of 3h8c by Molmil
A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors (compound 14)
Descriptor: Cathepsin L1, N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
Authors:Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J.
Deposit date:2009-04-29
Release date:2009-10-20
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Combined Crystallographic and Molecular Dynamics Study of Cathepsin L Retrobinding Inhibitors
J.Med.Chem., 2009
3GPT
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BU of 3gpt by Molmil
Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: slow substrate ligand
Descriptor: (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B.
Deposit date:2009-03-23
Release date:2009-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
3HB2
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BU of 3hb2 by Molmil
PrtC methionine mutants: M226I
Descriptor: CALCIUM ION, CHLORIDE ION, Secreted protease C, ...
Authors:Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U.
Deposit date:2009-05-04
Release date:2009-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Metzincin's canonical methionine is responsible for the structural integrity of the zinc-binding site
Biol.Chem., 390, 2009
3HE1
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BU of 3he1 by Molmil
Secreted protein Hcp3 from Pseudomonas aeruginosa.
Descriptor: GLYCEROL, Major exported Hcp3 protein
Authors:Osipiuk, J, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-07
Release date:2009-06-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Crystal structure of secretory protein Hcp3 from Pseudomonas aeruginosa.
J.Struct.Funct.Genom., 12, 2011
3HD3
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BU of 3hd3 by Molmil
High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047
Descriptor: (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide, 1,2-ETHANEDIOL, Cruzipain, ...
Authors:Kerr, I.D, Debnath, M, Brinen, L.S.
Deposit date:2009-05-06
Release date:2009-10-06
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases.
Bioorg.Med.Chem.Lett., 19, 2009
3HDB
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BU of 3hdb by Molmil
Crystal structure of AaHIV, A metalloproteinase from venom of Agkistrodon Acutus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AAHIV, CALCIUM ION, ...
Authors:Zhu, Z.Q, Niu, L.W, Teng, M.K.
Deposit date:2009-05-07
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis of the autolysis of AaHIV suggests a novel target recognizing model for ADAM/reprolysin family proteins
Biochem.Biophys.Res.Commun., 386, 2009
3HDA
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BU of 3hda by Molmil
PrtC methionine mutants: M226A_DESY
Descriptor: CALCIUM ION, CHLORIDE ION, Secreted protease C, ...
Authors:Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.131 Å)
Cite:Metzincin's canonical methionine is responsible for the structural integrity of the zinc-binding site
Biol.Chem., 390, 2009
3HEJ
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BU of 3hej by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T62R at cryogenic temperature
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ...
Authors:Khangulov, V.S, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B.
Deposit date:2009-05-08
Release date:2010-05-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Domain swapping promoted by a single mutation that introduces an ionizable group into the hydrophobic core of a protein
To be Published
3HFI
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BU of 3hfi by Molmil
The crystal structure of the putative regulator from Escherichia coli CFT073
Descriptor: Putative regulator
Authors:Zhang, R, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-11
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of the putative regulator from Escherichia coli CFT073
To be Published
3D9V
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BU of 3d9v by Molmil
CRYSTAL STRUCTURE OF ROCK I BOUND TO H-1152P A DI-METHYLATED VARIANT OF FASUDIL
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, Rho-associated protein kinase 1
Authors:Jacobs, M.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The structure of dimeric ROCK I reveals the mechanism for ligand selectivity.
J.Biol.Chem., 281, 2006

223790

数据于2024-08-14公开中

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