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3STM
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BU of 3stm by Molmil
Structure of human LFABP in complex with one molecule of palmitic acid
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Sharma, A, Sharma, A.
登録日2011-07-11
公開日2011-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Fatty acid induced remodeling within the Human liver fatty acid binding protein
J.Biol.Chem., 2011
4FLB
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BU of 4flb by Molmil
CID of human RPRD2
分子名称: PRASEODYMIUM ION, Regulation of nuclear pre-mRNA domain-containing protein 2, SULFATE ION, ...
著者Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC)
登録日2012-06-14
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
4DDS
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BU of 4dds by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11
分子名称: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DEU
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BU of 4deu by Molmil
Crystal Structure of the Wild Type TTR Binding Naringenin (TTRwt:NAR)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, NARINGENIN, ...
著者Trivella, D.B.B, Polikarpov, I.
登録日2012-01-22
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Flavonoid interactions with human transthyretin: Combined structural and thermodynamic analysis.
J.Struct.Biol., 180, 2012
2P84
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BU of 2p84 by Molmil
Crystal structure of ORF041 from Bacteriophage 37
分子名称: ORF041
著者Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Bain, K.T, Adams, J.M, Reyes, C, Lau, C, Gilmore, J, Rooney, I, Wasserman, T, Gheyi, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-21
公開日2007-04-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the hypothetical protein from Staphylococcus phage 37
To be Published
3SOW
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BU of 3sow by Molmil
Structure of UHRF1 PHD finger in complex with histone H3K4me3 1-9 peptide
分子名称: E3 ubiquitin-protein ligase UHRF1, Histone H3, ZINC ION
著者Rajakumara, E, Patel, D.J.
登録日2011-06-30
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9501 Å)
主引用文献PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
3SVH
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BU of 3svh by Molmil
Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-07-12
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand
To be Published
2P2M
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BU of 2p2m by Molmil
Acetyl-CoA Synthetase, R194A mutation
分子名称: ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase
著者Reger, A.S, Gulick, A.M.
登録日2007-03-07
公開日2007-05-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Biochemical and Crystallographic Analysis of Substrate Binding and Conformational Changes in Acetyl-CoA Synthetase.
Biochemistry, 46, 2007
4FQO
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BU of 4fqo by Molmil
Crystal Structure of Calcium-Loaded S100B Bound to SBi4211
分子名称: 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B
著者McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J.
登録日2012-06-25
公開日2012-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
ACS Med Chem Lett, 3, 2012
3SPF
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BU of 3spf by Molmil
Crystal Structure of Bcl-xL bound to BM501
分子名称: 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL
著者Meagher, J.L, Stuckey, J.A.
登録日2011-07-01
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012
3FR1
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BU of 3fr1 by Molmil
NFLVHS segment from Islet Amyloid Polypeptide (IAPP or Amylin)
分子名称: CHLORIDE ION, Islet amyloid polypeptide
著者Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D.
登録日2009-01-08
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular mechanisms for protein-encoded inheritance
Nat.Struct.Mol.Biol., 16, 2009
4FQS
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BU of 4fqs by Molmil
Crystal Structure of Mycobacterium tuberculosis ThyA in complex with UMP and Pemetrexed
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C.
登録日2012-06-25
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition
To be Published
2P3Z
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BU of 2p3z by Molmil
Crystal structure of L-Rhamnonate dehydratase from Salmonella typhimurium
分子名称: L-rhamnonate dehydratase, SODIUM ION
著者Malashkevich, V.N, Sauder, J.M, Dickey, M, Adams, J.M, Burley, S.K, Wasserman, S.R, Gerlt, J, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-10
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of L-Rhamnonate Dehydratase from Salmonella Typhimurium Lt2
To be Published
4DO6
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BU of 4do6 by Molmil
Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminidase, ...
著者Clark, N.E, Garman, S.C.
登録日2012-02-09
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
Proc.Natl.Acad.Sci.USA, 109, 2012
3SQO
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BU of 3sqo by Molmil
PCSK9 J16 Fab complex
分子名称: J16 Heavy chain, J16 Light chain, PCSK9 prodomain, ...
著者Strop, P.
登録日2011-07-05
公開日2012-05-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Proprotein convertase substilisin/kexin type 9 antagonism reduces low-density lipoprotein cholesterol in statin-treated hypercholesterolemic nonhuman primates.
J.Pharmacol.Exp.Ther., 340, 2012
4DOP
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BU of 4dop by Molmil
Crystal structure of the CusBA heavy-metal efflux complex from Escherichia coli, R mutant
分子名称: Cation efflux system protein CusA, Cation efflux system protein CusB
著者Su, C.-C, Long, F, Yu, E.
登録日2012-02-10
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Charged Amino Acids (R83, E567, D617, E625, R669, and K678) of CusA Are Required for Metal Ion Transport in the Cus Efflux System.
J.Mol.Biol., 422, 2012
4DH6
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BU of 4dh6 by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide
分子名称: (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2012-01-27
公開日2012-04-18
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid.
J.Med.Chem., 55, 2012
2P5S
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BU of 2p5s by Molmil
RAB domain of human RASEF in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, RAS and EF-hand domain containing, UNKNOWN ATOM OR ION
著者Zhu, H, Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2007-03-16
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献RAB domain of human RASEF in complex with GDP
To be Published
4F9E
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BU of 4f9e by Molmil
Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING
分子名称: Transmembrane protein 173
著者Kabaleeswaran, V, Wu, H.
登録日2012-05-18
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING.
Mol.Cell, 46, 2012
4FA0
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BU of 4fa0 by Molmil
Crystal structure of human AdPLA to 2.65 A resolution
分子名称: Group XVI phospholipase A1/A2
著者Lovell, S, Battaile, K.P, Addington, L, Zhang, N, Rao, J.L.U.M, Moise, A.R.
登録日2012-05-21
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure/Function relationships of adipose phospholipase A2 containing a cys-his-his catalytic triad.
J.Biol.Chem., 287, 2012
3FVB
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BU of 3fvb by Molmil
Crystal structure of ferritin (bacterioferritin) from Brucella melitensis
分子名称: Bacterioferritin, CHLORIDE ION, FE (III) ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-01-15
公開日2009-02-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.806 Å)
主引用文献Crystal structure of ferritin from Brucella melitensis
To be Published
4DQB
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BU of 4dqb by Molmil
Crystal Structure of wild-type HIV-1 Protease in Complex with DRV
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ...
著者Schiffer, C.A, Mittal, S.
登録日2012-02-15
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQJ
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BU of 4dqj by Molmil
Structural Investigation of Bacteriophage Phi6 Lysin (in complex with chitotetraose)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, Membrane protein Phi6 P5
著者Dessau, M.A, Modis, Y.
登録日2012-02-16
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Selective pressure causes an RNA virus to trade reproductive fitness for increased structural and thermal stability of a viral enzyme.
PLoS Genet, 8, 2012
3SSA
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BU of 3ssa by Molmil
Crystal structure of subunit B mutant N157T of the A1AO ATP synthase
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sundararaman, L, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G.
登録日2011-07-08
公開日2012-09-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of subunit A mutants H156A, N157A and N157T of the A1AO ATP synthase
To be Published
3T16
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BU of 3t16 by Molmil
Crystal structure of Staphylococcal nuclease variant NVIAGA/M98G at cryogenic temperature
分子名称: Thermonuclease
著者Schlessman, J.L, Doctrow, B.M, Garcia-Moreno E, B, Heroux, A.
登録日2011-07-21
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant NVIAGA/M98G at cryogenic temperature
To be Published

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