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4NFG
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BU of 4nfg by Molmil
K13R mutant of horse cytochrome c and yeast cytochrome c peroxidase complex
Descriptor: Cytochrome c, Cytochrome c peroxidase, mitochondrial, ...
Authors:Meulenbroek, E.M, Bashir, Q, Ubbink, M, Pannu, N.S.
Deposit date:2013-10-31
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Engineering specificity in a dynamic protein complex with a single conserved mutation.
Febs J., 281, 2014
4NCW
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BU of 4ncw by Molmil
foldon domain wild type C-conjugate
Descriptor: Fibritin, N,N',N''-triethylbenzene-1,3,5-tricarboxamide
Authors:Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J.
Deposit date:2013-10-25
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer.
Org.Biomol.Chem., 12, 2014
4NDD
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BU of 4ndd by Molmil
X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein
Descriptor: CALCIUM ION, Calexcitin
Authors:Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B.
Deposit date:2013-10-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
4NR3
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BU of 4nr3 by Molmil
Crystal Structure of a human Mms2/Ubc13 L121G mutant
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2013-11-26
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Stochastic gate dynamics regulate the catalytic activity of ubiquitination enzymes.
J.Am.Chem.Soc., 136, 2014
1W2K
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BU of 1w2k by Molmil
tf7a_4380 complex
Descriptor: (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
Authors:Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
Deposit date:2004-07-06
Release date:2005-06-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
4NFL
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BU of 4nfl by Molmil
Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor NPB-T
Descriptor: 1-{2-deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ...
Authors:Pachl, P, Rezacova, P, Brynda, J.
Deposit date:2013-10-31
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.375 Å)
Cite:Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Org.Biomol.Chem., 12, 2014
4NDL
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BU of 4ndl by Molmil
Computational design and experimental verification of a symmetric homodimer
Descriptor: ENH-c2b, computational designed homodimer
Authors:Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L.
Deposit date:2013-10-26
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Computational design and experimental verification of a symmetric protein homodimer.
Proc.Natl.Acad.Sci.USA, 112, 2015
4NL1
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BU of 4nl1 by Molmil
Crystal structure of B. anthracis DHPS with compound 11: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
Descriptor: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-13
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4NRG
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BU of 4nrg by Molmil
Crystal Structure of a human Mms2/Ubc13 D118G mutant
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2013-11-26
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stochastic gate dynamics regulate the catalytic activity of ubiquitination enzymes.
J.Am.Chem.Soc., 136, 2014
4O1G
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BU of 4o1g by Molmil
MTB adenosine kinase in complex with gamma-Thio-ATP
Descriptor: Adenosine kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SODIUM ION
Authors:Dostal, J, Brynda, J, Hocek, M, Pichova, I.
Deposit date:2013-12-15
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
4O1L
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BU of 4o1l by Molmil
Human Adenosine Kinase in complex with inhibitor
Descriptor: 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase, MAGNESIUM ION
Authors:Brynda, J, Dostal, J, Pichova, I, Hodcek, M.
Deposit date:2013-12-16
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
4NUV
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BU of 4nuv by Molmil
Heterotetramer structure of Region II from Plasmodium vivax Duffy Binding Protein (PvDBP) bound to the ectodomain of the Duffy Antigen Receptor for Chemokines (DARC)
Descriptor: Duffy antigen/chemokine receptor, Duffy receptor, GLYCEROL
Authors:Tolia, N.H.
Deposit date:2013-12-04
Release date:2014-02-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Red Blood Cell Invasion by Plasmodium vivax: Structural Basis for DBP Engagement of DARC.
Plos Pathog., 10, 2014
1W0Y
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BU of 1w0y by Molmil
tf7a_3771 complex
Descriptor: 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
Authors:Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
Deposit date:2004-05-27
Release date:2005-01-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
4O0A
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BU of 4o0a by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
Descriptor: 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
Authors:Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
Deposit date:2013-12-13
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J. Med. Chem., 56, 2013
1DY4
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BU of 1dy4 by Molmil
CBH1 IN COMPLEX WITH S-PROPRANOLOL
Descriptor: 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ...
Authors:Stahlberg, J, Henriksson, H, Divne, C, Isaksson, R, Pettersson, G, Johansson, G, Jones, T.A.
Deposit date:2000-01-26
Release date:2000-12-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Enantiomer Binding and Separation of a Common Beta-Blocker: Crystal Structure of Cellobiohydrolase Cel7A with Bound (S)-Propranolol at 1.9 A Resolution
J.Mol.Biol., 305, 2001
4OK3
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BU of 4ok3 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OIY
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BU of 4oiy by Molmil
Crystal structure of Sec7p catalytic domain
Descriptor: MAGNESIUM ION, Protein transport protein SEC7
Authors:Qiu, B, Zhang, K, Sun, F.
Deposit date:2014-01-20
Release date:2014-07-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:C-terminal motif within Sec7 domain regulates guanine nucleotide exchange activity via tuning protein conformation
Biochem.Biophys.Res.Commun., 446, 2014
4OK6
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BU of 4ok6 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
3ECV
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BU of 3ecv by Molmil
Crystal structure of the ALS-related pathological mutant I113T of human apo Cu,Zn Superoxide Dismutase (SOD1)
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Calderone, V.
Deposit date:2008-09-02
Release date:2009-05-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and dynamic aspects related to oligomerization of apo SOD1 and its mutants.
Proc.Natl.Acad.Sci.USA, 106, 2009
3ECU
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BU of 3ecu by Molmil
Crystal structure of human apo Cu,Zn Superoxide Dismutase (SOD1)
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Calderone, V.
Deposit date:2008-09-02
Release date:2009-05-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and dynamic aspects related to oligomerization of apo SOD1 and its mutants.
Proc.Natl.Acad.Sci.USA, 106, 2009
3H15
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BU of 3h15 by Molmil
Crystal structure of replication initiation factor MCM10-ID bound to ssDNA
Descriptor: 5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*C)-3', Protein MCM10 homolog, ZINC ION
Authors:Warren, E.M, Eichman, B.F.
Deposit date:2009-04-10
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Physical Interactions between Mcm10, DNA, and DNA Polymerase {alpha}.
J.Biol.Chem., 284, 2009
2Y82
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BU of 2y82 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
Descriptor: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2YBI
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BU of 2ybi by Molmil
Nitrate X-ray induced reduction on HEWL crystals (6.62 MGy)
Descriptor: LYSOZYME C, NITRATE ION, NITRITE ION
Authors:De la Mora, E, Carmichael, I, Garman, E.F.
Deposit date:2011-03-08
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals.
J.Synchrotron.Radiat., 18, 2011
3MBG
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BU of 3mbg by Molmil
Crystal Structure of Human Augmenter of Liver Regeneration (ALR)
Descriptor: ACETATE ION, FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Dong, M, Schaefer, S, Daithankar, V.N, Thorpe, C, Bahnson, B.J.
Deposit date:2010-03-25
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the human sulfhydryl oxidase augmenter of liver regeneration and characterization of a human mutation causing an autosomal recessive myopathy .
Biochemistry, 49, 2010
2YJF
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BU of 2yjf by Molmil
Oligomeric assembly of actin bound to MRTF-A
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Mouilleron, S, Langer, C.A, Guettler, S, McDonald, N.Q, Treisman, R.
Deposit date:2011-05-19
Release date:2011-07-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a pentavalent G-actin*MRTF-A complex reveals how G-actin controls nucleocytoplasmic shuttling of a transcriptional coactivator.
Sci Signal, 4, 2011

223790

数据于2024-08-14公开中

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