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1DEU
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BU of 1deu by Molmil
CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN X: A CYSTEINE PROTEASE WITH THE PROREGION COVALENTLY LINKED TO THE ACTIVE SITE CYSTEINE
Descriptor: PROCATHEPSIN X
Authors:Sivaraman, J, Nagler, D.K, Zhang, R, Menard, R, Cygler, M.
Deposit date:1999-11-15
Release date:2000-02-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human procathepsin X: a cysteine protease with the proregion covalently linked to the active site cysteine.
J.Mol.Biol., 295, 2000
2VB1
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BU of 2vb1 by Molmil
HEWL at 0.65 angstrom resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, LYSOZYME C, ...
Authors:Wang, J, Dauter, M, Alkire, R, Joachimiak, A, Dauter, Z.
Deposit date:2007-09-05
Release date:2007-09-18
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (0.65 Å)
Cite:Triclinic Lysozyme at 0.65 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
3HS0
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BU of 3hs0 by Molmil
Cobra Venom Factor (CVF) in complex with human factor B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cobra venom factor, ...
Authors:Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P.
Deposit date:2009-06-10
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Embo J., 28, 2009
3HZX
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BU of 3hzx by Molmil
Crystal Structure of Staphylococcal nuclease variant D+PHS/V66K at pH 9 determined at 100 K
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Schlessman, J.L, De Luca-Westrate, J.N, Garcia-Moreno, B.E.
Deposit date:2009-06-24
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Staphylococcal nuclease D+PHS/V66K reveals internal hydration in protein cavity
To be Published
3IT7
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BU of 3it7 by Molmil
Crystal Structure of the LasA virulence factor from Pseudomonas aeruginosa
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Protease lasA, ...
Authors:Spencer, J, Murphy, L.M, Conners, R, Sessions, R.B, Gamblin, S.J.
Deposit date:2009-08-27
Release date:2009-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of the LasA virulence factor from Pseudomonas aeruginosa: substrate specificity and mechanism of M23 metallopeptidases.
J.Mol.Biol., 396, 2010
3IWD
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BU of 3iwd by Molmil
T. maritima AdoMetDC complex with 5'-Deoxy-5'-dimethyl thioadenosine
Descriptor: 5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine, S-adenosylmethionine decarboxylase
Authors:Bale, S, Kavita, B, Ealick, S.E.
Deposit date:2009-09-02
Release date:2010-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Complexes of Thermotoga maritimaS-adenosylmethionine decarboxylase provide insights into substrate specificity.
Acta Crystallogr.,Sect.D, 66, 2010
2Y5G
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BU of 2y5g by Molmil
FACTOR XA - CATION INHIBITOR COMPLEX
Descriptor: 3-[(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-2-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ...
Authors:Banner, D.W, Salonen, L.M, Holland, M.C, Haap, W, Benz, J, Diederich, F.
Deposit date:2011-01-13
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Molecular Recognition at the Active Site of Factor Xa: Cation-Pi Interactions, Stacking on Planar Peptide Surfaces, and Replacement of Structural Water.
Chemistry, 18, 2012
3IWB
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BU of 3iwb by Molmil
T. maritima AdoMetDC in processed form
Descriptor: S-adenosylmethionine decarboxylase
Authors:Bale, S, Kavita, B, Ealick, S.E.
Deposit date:2009-09-02
Release date:2010-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Complexes of Thermotoga maritimaS-adenosylmethionine decarboxylase provide insights into substrate specificity.
Acta Crystallogr.,Sect.D, 66, 2010
2XC5
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BU of 2xc5 by Molmil
Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor
Descriptor: (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W.
Deposit date:2010-04-16
Release date:2010-08-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
3IWC
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BU of 3iwc by Molmil
T. maritima AdoMetDC complex with S-Adenosylmethionine methyl ester
Descriptor: S-ADENOSYLMETHIONINE METHYL ESTER, S-adenosylmethionine decarboxylase
Authors:Bale, S, Kavita, B, Ealick, S.E.
Deposit date:2009-09-02
Release date:2010-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Complexes of Thermotoga maritimaS-adenosylmethionine decarboxylase provide insights into substrate specificity.
Acta Crystallogr.,Sect.D, 66, 2010
3IXK
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BU of 3ixk by Molmil
Potent beta-secretase 1 inhibitor
Descriptor: Beta-secretase 1, N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Authors:Borkakoti, N, Lindberg, J.D, Nystrom, S.
Deposit date:2009-09-04
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core.
Eur.J.Med.Chem., 45, 2010
3L1E
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BU of 3l1e by Molmil
Bovine AlphaA crystallin Zinc Bound
Descriptor: Alpha-crystallin A chain, GLYCEROL, ZINC ION
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2009-12-11
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
3L1K
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BU of 3l1k by Molmil
SAD structure solution of proteinase K grown in potassium tellurate solution
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Orthotelluric acid, ...
Authors:Jakoncic, J.
Deposit date:2009-12-11
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:SAD structure solution of proteinase K grown in potassium tellurate solution
To be Published
3KSE
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BU of 3kse by Molmil
Unreduced cathepsin L in complex with stefin A
Descriptor: Cathepsin L1, Cystatin-A
Authors:Renko, M, Turk, D.
Deposit date:2009-11-22
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Unreduced cathepsin L in complex with stefin A
To be Published
3KUZ
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BU of 3kuz by Molmil
Crystal structure of the ubiquitin like domain of PLXNC1
Descriptor: Plexin-C1, UNKNOWN ATOM OR ION
Authors:Wang, H, Li, B, Tempel, W, Tong, Y, Guan, X, Zhong, N, Crombet, L, MacKenzie, F, Buck, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-11-28
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the ubiquitin like domain of PLXNC1
to be published
2VS2
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BU of 2vs2 by Molmil
Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.
Descriptor: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Authors:Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J.
Deposit date:2008-04-17
Release date:2008-05-27
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (2 Å)
Cite:The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
3KX1
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BU of 3kx1 by Molmil
Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor
Descriptor: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
Authors:Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-02
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3L1G
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BU of 3l1g by Molmil
Human AlphaB crystallin
Descriptor: Alpha-crystallin B chain, SULFATE ION
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2009-12-11
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
2VQE
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BU of 2vqe by Molmil
Modified uridines with C5-methylene substituents at the first position of the tRNA anticodon stabilize U-G wobble pairing during decoding
Descriptor: 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Kurata, S, Weixlbaumer, A, Ohtsuki, T, Shimazaki, T, Wada, T, Kirino, Y, Takai, K, Watanabe, K, Ramakrishnan, V, Suzuki, T.
Deposit date:2008-03-13
Release date:2008-04-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Modified Uridines with C5-Methylene Substituents at the First Position of the tRNA Anticodon Stabilize U.G Wobble Pairing During Decoding.
J.Biol.Chem., 283, 2008
2W0K
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BU of 2w0k by Molmil
Crystal structure of the recombinant variable domain 6JAL2
Descriptor: V1-22 PROTEIN
Authors:Rudino-Pinera, E, Gonzalezrubio-Garrido, P, Horjales, E.
Deposit date:2008-08-19
Release date:2009-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A Single Mutation at the Sheet Switch Region Results in Conformational Changes Favoring Lambda6 Light-Chain Fibrillogenesis.
J.Mol.Biol., 396, 2010
3LEA
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BU of 3lea by Molmil
Crystal structure of the catalytic domain of TACE with Isoindolinone-biphenyl-hydantoin inhibitor
Descriptor: 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium, Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, ...
Authors:Orth, P.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biaryl substituted hydantoin compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LT3
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BU of 3lt3 by Molmil
Crystal structure of Rv3671c from M. tuberculosis H37Rv, Ser343Ala mutant, inactive form
Descriptor: POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE
Authors:Biswas, T, Small, J, Vandal, O, Ehrt, S, Tsodikov, O.V.
Deposit date:2010-02-14
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into serine protease Rv3671c that Protects M. tuberculosis from oxidative and acidic stress.
Structure, 18, 2010
1B5T
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BU of 1b5t by Molmil
ESCHERICHIA COLI METHYLENETETRAHYDROFOLATE REDUCTASE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MERCURY (II) ION, PROTEIN (METHYLENETETRAHYDROFOLATE REDUCTASE)
Authors:Guenther, B.D, Sheppard, C.A, Tran, P, Rozen, R, Matthews, R.G, Ludwig, M.L.
Deposit date:1999-01-07
Release date:1999-01-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure and properties of methylenetetrahydrofolate reductase from Escherichia coli suggest how folate ameliorates human hyperhomocysteinemia.
Nat.Struct.Biol., 6, 1999
3L94
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BU of 3l94 by Molmil
Structure of PvdQ covalently acylated with myristate
Descriptor: 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase pvdQ subunit alpha, Acyl-homoserine lactone acylase pvdQ subunit beta, ...
Authors:Drake, E.J, Gulick, A.M.
Deposit date:2010-01-04
Release date:2011-01-26
Last modified:2013-04-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization and high-throughput screening of inhibitors of PvdQ, an NTN hydrolase involved in pyoverdine synthesis.
Acs Chem.Biol., 6, 2011
2W23
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BU of 2w23 by Molmil
Structure of mutant W169Y of Pleurotus eryngii versatile peroxidase (VP)
Descriptor: CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ruiz-Duenas, F.J, Pogni, R, Morales, M, Giansanti, S, Mate, M.J, Romero, A, Martinez, M.J, Basosi, R, Martinez, A.T.
Deposit date:2008-10-23
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Protein Radicals in Fungal Versatile Peroxidase: Catalytic Tryptophan Radical in Both Compound I and Compound II and Studies on W164Y, W164H, and W164S Variants.
J.Biol.Chem., 284, 2009

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数据于2024-09-25公开中

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