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3ME6
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BU of 3me6 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel
Descriptor: Clopidogrel, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Roberts, A.G, Maekawa, K, Talakad, J.C, Hong, W.X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2010-03-31
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
3MG4
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BU of 3mg4 by Molmil
Structure of yeast 20S proteasome with Compound 1
Descriptor: (2S)-2-amino-N-[(1S)-1-({(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Sintchak, M.D.
Deposit date:2010-04-05
Release date:2011-04-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
3M2V
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BU of 3m2v by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-08
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
3M5N
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BU of 3m5n by Molmil
Crystal structure of HCV NS3/4A protease in complex with N-terminal product 4B5A
Descriptor: NS3/4A, SECTTPC peptide, SULFATE ION, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2010-03-12
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
2G44
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BU of 2g44 by Molmil
Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-1M-G and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide
Descriptor: 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
Deposit date:2006-02-21
Release date:2007-01-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and characterization of novel estrogen receptor agonist ligands and development of biochips for nuclear receptor drug discovery
Thesis, 2006
1PO5
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BU of 1po5 by Molmil
Structure of mammalian cytochrome P450 2B4
Descriptor: Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, He, Y.A, Wester, M.R, White, M.A, Chin, C.C, Halpert, J.R, Johnson, E.F, Stout, C.D.
Deposit date:2003-06-13
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An open conformation of mammalian cytochrome P450 2B4 at 1.6 A resolution
Proc.Natl.Acad.Sci.USA, 100, 2003
2GA6
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BU of 2ga6 by Molmil
The crystal structure of SARS nsp10 without zinc ion as additive
Descriptor: ZINC ION, orf1a polyprotein
Authors:Su, D, Lou, Z, Sun, F, Zhai, Y, Yang, H, Rao, Z.
Deposit date:2006-03-08
Release date:2006-08-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dodecamer Structure of Severe Acute Respiratory Syndrome Coronavirus Nonstructural Protein nsp10
J.Virol., 80, 2006
2G8N
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BU of 2g8n by Molmil
Structure of hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
Descriptor: (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Gee, C.L, Martin, J.L.
Deposit date:2006-03-02
Release date:2006-09-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Comparison of the Binding of 3-Fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with Their Isosteric Sulfonamides to the Active Site of Phenylethanolamine N-Methyltransferase
J.Med.Chem., 49, 2006
3MI5
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BU of 3mi5 by Molmil
Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
Descriptor: BETA-MERCAPTOETHANOL, CATECHOL, CHLORIDE ION, ...
Authors:Purpero, V.M, Lipscomb, J.D.
Deposit date:2010-04-09
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
To be Published
2GEC
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BU of 2gec by Molmil
Structure of the N-terminal domain of avian infectious bronchitis virus nucleocapsid protein (strain Gray) in a novel dimeric arrangement
Descriptor: Nucleocapsid protein
Authors:Jayaram, H, Fan, H, Bowman, B.R, Ooi, A, Jayaram, J, Collisson, E.W, Lescar, J, Prasad, B.V.
Deposit date:2006-03-19
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:X-ray structures of the N- and C-terminal domains of a coronavirus nucleocapsid protein: implications for nucleocapsid formation.
J.Virol., 80, 2006
2G7Q
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BU of 2g7q by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A, N-HYDROXY-L-ARGININAMIDE, ZINC ION
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
1RYP
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BU of 1ryp by Molmil
CRYSTAL STRUCTURE OF THE 20S PROTEASOME FROM YEAST AT 2.4 ANGSTROMS RESOLUTION
Descriptor: 20S PROTEASOME, MAGNESIUM ION
Authors:Groll, M, Ditzel, L, Loewe, J, Stock, D, Bochtler, M, Bartunik, H.D, Huber, R.
Deposit date:1997-02-26
Release date:1998-04-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of 20S proteasome from yeast at 2.4 A resolution.
Nature, 386, 1997
2CKY
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BU of 2cky by Molmil
Structure of the Arabidopsis thaliana thiamine pyrophosphate riboswitch with its regulatory ligand
Descriptor: MAGNESIUM ION, NUCLEIC ACID, OSMIUM ION, ...
Authors:Thore, S, Leibundgut, M, Ban, N.
Deposit date:2006-04-24
Release date:2006-05-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Eukaryotic Thiamine Pyrophosphate Riboswitch with its Regulatory Ligand.
Science, 312, 2006
3M13
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BU of 3m13 by Molmil
Crystal Structure of the Lys265Arg PEG-crystallized mutant of monomeric sarcosine oxidase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric sarcosine oxidase, ...
Authors:Mathews, F.S, Chen, Z.-W, Jorns, M.S.
Deposit date:2010-03-04
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of mutations at the oxygen activation site in monomeric sarcosine oxidase.
Biochemistry, 49, 2010
2C7K
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BU of 2c7k by Molmil
Laue structure of phycoerythrocyanin from Mastigocladus laminosus
Descriptor: BILIVERDINE IX ALPHA, PHYCOCYANOBILIN, PHYCOERYTHROCYANIN ALPHA CHAIN, ...
Authors:Schmidt, M, Krasselt, A, Reuter, W.
Deposit date:2005-11-24
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Local Protein Flexibility as a Prerequisite for Reversible Chromophore Isomerization in Alpha-Phycoerythrocyanin
Biochim.Biophys.Acta, 1764, 2006
1SLG
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BU of 1slg by Molmil
STREPTAVIDIN, PH 5.6, BOUND TO PEPTIDE FCHPQNT
Descriptor: FCHPQNT, STREPTAVIDIN
Authors:Katz, B.A.
Deposit date:1995-03-10
Release date:1996-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Binding to protein targets of peptidic leads discovered by phage display: crystal structures of streptavidin-bound linear and cyclic peptide ligands containing the HPQ sequence
Biochemistry, 34, 1995
1YSL
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BU of 1ysl by Molmil
Crystal structure of HMG-CoA synthase from Enterococcus faecalis with AcetoAcetyl-CoA ligand.
Descriptor: ACETOACETIC ACID, COENZYME A, GLYCEROL, ...
Authors:Steussy, C.N, Vartia, A.A, Burgner II, J.W, Sutherlin, A, Rodwell, V.W, Stauffacher, C.V.
Deposit date:2005-02-08
Release date:2005-11-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystal Structures of HMG-CoA Synthase from Enterococcus faecalis and a Complex with Its Second Substrate/Inhibitor Acetoacetyl-CoA.
Biochemistry, 44, 2005
3MM0
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BU of 3mm0 by Molmil
Crystal structure of chimeric avidin
Descriptor: Avidin, Avidin-related protein 4/5
Authors:Livnah, O, Eisenberg-Domovich, Y, Maatta, J.A.E, Kulomaa, M.S, Hytonen, V.P, Nordlund, H.R.
Deposit date:2010-04-19
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Chimeric avidin shows stability against harsh chemical conditions-biochemical analysis and 3D structure.
Biotechnol.Bioeng., 108, 2011
3M1V
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BU of 3m1v by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-05
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
2GP1
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BU of 2gp1 by Molmil
Bacteriophage HK97 Prohead II crystal structure
Descriptor: Major capsid protein
Authors:Gertsman, I, Gan, L, Johnson, J.E.
Deposit date:2006-04-15
Release date:2006-05-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.2 Å)
Cite:Structure and Flexibility of Bacteriophage HK97 Pre-expanded State Prohead II
To be Published
1YWC
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BU of 1ywc by Molmil
Structure of the ferrous CO complex of NP4 from Rhodnius Prolixus at pH 7.0
Descriptor: CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, nitrophorin 4
Authors:Maes, E.M, Weichsel, A, Roberts, S.A, Montfort, W.R.
Deposit date:2005-02-17
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ultrahigh Resolution Structures of Nitrophorin 4: Heme Distortion in Ferrous CO and NO Complexes
Biochemistry, 44, 2005
2GRZ
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BU of 2grz by Molmil
5ns Photoproduct of the M37V mutant of Scapharca HbI
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Knapp, J.E, Pahl, R, Srajer, V, Royer Jr, W.E.
Deposit date:2006-04-25
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1YXO
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BU of 1yxo by Molmil
Crystal Structure of pyridoxal phosphate biosynthetic protein PdxA PA0593
Descriptor: 4-hydroxythreonine-4-phosphate dehydrogenase 1, ETHANOL, MAGNESIUM ION
Authors:Liu, Y, Xu, X, Dong, A, Kudritskam, M, Savchenko, A, Pai, E.F, Joachimiak, A, Edwards, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-02-22
Release date:2005-04-05
Last modified:2011-10-05
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structure of pyridoxal phosphate biosynthetic protein PdxA PA0593
To be Published
1SFR
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BU of 1sfr by Molmil
Crystal Structure of the Mycobacterium tuberculosis Antigen 85A Protein
Descriptor: Antigen 85-A
Authors:Ronning, D.R, Vissa, V, Besra, G.S, Belisle, J.T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-02-20
Release date:2004-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis Antigen 85A and 85C Structures Confirm Binding Orientation and Conserved Substrate Specificity
J.Biol.Chem., 279, 2004
3MB3
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BU of 3mb3 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP)
Descriptor: 1-methylpyrrolidin-2-one, PH-interacting protein
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-03-25
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012

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數據於2024-09-11公開中

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