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3GQZ
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BU of 3gqz by Molmil
AmpC beta-lactamase in complex with Fragment-based Inhibitor
Descriptor: (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE
Authors:Teotico, D.T, Shoichet, B.K.
Deposit date:2009-03-24
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Docking for fragment inhibitors of AmpC beta-lactamase
Proc.Natl.Acad.Sci.USA, 106, 2009
3OUP
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BU of 3oup by Molmil
Crystal structure of the gamma-carbonic anhydrase W19N mutant from Methanosarcina thermophila
Descriptor: Carbonic anhydrase, ZINC ION
Authors:Domsic, J.F, Robbins, A.H, McKenna, R.
Deposit date:2010-09-15
Release date:2011-10-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the gamma-carbonic anhydrase W19N mutant from Methanosarcina thermophila
To be Published
3H54
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BU of 3h54 by Molmil
Crystal Structure of human alpha-N-acetylgalactosaminidase,complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 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, ...
Authors:Clark, N.E, Garman, S.C.
Deposit date:2009-04-21
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The 1.9 a structure of human alpha-N-acetylgalactosaminidase: The molecular basis of Schindler and Kanzaki diseases
J.Mol.Biol., 393, 2009
3OV4
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BU of 3ov4 by Molmil
Crystal Structure of Ketosteroid Isomerase P39GV40GS42G from Pseudomonas Testosteroni (tKSI) bound to Equilenin
Descriptor: EQUILENIN, SULFATE ION, Steroid Delta-isomerase
Authors:Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
Deposit date:2010-09-15
Release date:2011-10-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of Ketosteroid Isomerase P39GV40GS42G from Pseudomonas Testosteroni (tKSI)
To be Published
3HQZ
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BU of 3hqz by Molmil
Discovery of novel inhibitors of PDE10A
Descriptor: 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ...
Authors:Pandit, J, Marr, E.S.
Deposit date:2009-06-08
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia
J.Med.Chem., 52, 2009
3I3C
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BU of 3i3c by Molmil
Crystal Structural of CBX5 Chromo Shadow Domain
Descriptor: Chromobox protein homolog 5, SODIUM ION
Authors:Amaya, M.F, Li, Z, Li, Y, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structural of CBX5 Chromo Shadow Domain
To be Published
3HRG
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BU of 3hrg by Molmil
Crystal structure of Bacteroides thetaiotaomicron BT_3980, protein with actin-like ATPase fold and unknown function (NP_812891.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.85 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, UNKNOWN LIGAND, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-06-09
Release date:2009-06-23
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Bacteroides thetaiotaomicron BT_3980, protein with actin-like ATPase fold and unknown function (NP_812891.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.85 A resolution
To be Published
3HRO
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BU of 3hro by Molmil
Crystal structure of a C-terminal coiled coil domain of Transient receptor potential (TRP) channel subfamily P member 2 (TRPP2, polycystic kidney disease 2)
Descriptor: Transient receptor potential (TRP) channel subfamily P member 2 (TRPP2), also called Polycystin-2 or polycystic kidney disease 2(PKD2)
Authors:Yu, Y, Ulbrich, M.H, Li, M.-H, Buraei, Z, Chen, X.-Z, Ong, A.C.M, Tong, L, Isacoff, E.Y, Yang, J.
Deposit date:2009-06-09
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and molecular basis of the assembly of the TRPP2/PKD1 complex.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HRT
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BU of 3hrt by Molmil
Crystal Structure of ScaR with bound Cd2+
Descriptor: CADMIUM ION, Metalloregulator ScaR, SULFATE ION
Authors:Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A.
Deposit date:2009-06-09
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Characterization and structure of the manganese-responsive transcriptional regulator ScaR.
Biochemistry, 48, 2009
3OYD
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BU of 3oyd by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI GS9160
Descriptor: AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2010-09-23
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OYS
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BU of 3oys by Molmil
Human Carbonic Anhydrase II complexed with 2-{[4-AMINO-3-(3-HYDROXYPROP-1-YN-1-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]METHYL}-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE
Descriptor: 2-phenyl-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Aggarwal, M, McKenna, R.
Deposit date:2010-09-23
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.
J.Med.Chem., 54, 2011
3OZA
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BU of 3oza by Molmil
Crystal Structure of Plasmodium falciparum 3-Phosphoglycerate Kinase
Descriptor: GLYCEROL, Phosphoglycerate kinase, SULFATE ION
Authors:Smith, C.D, Chattopadhyay, D, Pal, B.
Deposit date:2010-09-24
Release date:2011-08-24
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of Plasmodium falciparum phosphoglycerate kinase: Evidence for anion binding in the basic patch.
Biochem.Biophys.Res.Commun., 412, 2011
3I1Y
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BU of 3i1y by Molmil
Crystal Structure of soluble epoxide Hydrolase
Descriptor: Epoxide hydrolase 2, N-(3,3-diphenylpropyl)pyridine-3-carboxamide
Authors:Farrow, N.A.
Deposit date:2009-06-28
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009
3OZC
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BU of 3ozc by Molmil
Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pCl-phenylthioDADMeImmA
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, PHOSPHATE ION, S-methyl-5'-thioadenosine phosphorylase
Authors:Ho, M, Guan, R, Almo, S.C, Schramm, V.L.
Deposit date:2010-09-24
Release date:2011-09-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase
to be published
3P1C
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BU of 3p1c by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with acetylated lysine
Descriptor: CREB-binding protein, N(6)-ACETYLLYSINE, POTASSIUM ION, ...
Authors:Filippakopoulos, P, Picaud, S, Feletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-09-30
Release date:2010-11-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3I6J
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BU of 3i6j by Molmil
Ribonuclease A by Classical hanging drop method after high X-Ray dose on ESRF ID14-2 beamline
Descriptor: CHLORIDE ION, Ribonuclease pancreatic
Authors:Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
Deposit date:2009-07-07
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published
3I6S
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BU of 3i6s by Molmil
Crystal Structure of the plant subtilisin-like protease SBT3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Subtilisin-like protease, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rose, R, Ottmann, C.
Deposit date:2009-07-07
Release date:2010-01-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for Ca2+-independence and activation by homodimerization of tomato subtilase 3.
Proc.Natl.Acad.Sci.USA, 106, 2009
3I59
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BU of 3i59 by Molmil
Crystal structure of MtbCRP in complex with N6-cAMP
Descriptor: (2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, (2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, CHLORIDE ION, ...
Authors:Reddy, M.C, Palaninathan, S.K, Bruning, J.B, Thurman, C, Smith, D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2009-07-03
Release date:2009-09-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Insights into the Mechanism of the Allosteric Transitions of Mycobacterium tuberculosis cAMP Receptor Protein.
J.Biol.Chem., 284, 2009
3P1Y
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BU of 3p1y by Molmil
Crystal structure of the chimeric Archaeoglobus fulgidus RNA splicing endonuclease with the broadest substrate specificity
Descriptor: tRNA-splicing endonuclease
Authors:Hirata, A.
Deposit date:2010-10-01
Release date:2011-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cleavage of intron from the standard or non-standard position of the precursor tRNA by the splicing endonuclease of Aeropyrum pernix, a hyper-thermophilic Crenarchaeon, involves a novel RNA recognition site in the Crenarchaea specific loop
Nucleic Acids Res., 39, 2011
3P2I
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BU of 3p2i by Molmil
Structure of an antibiotic related Methyltransferase
Descriptor: 16S rRNA methylase
Authors:Sivaraman, J, Husain, N.
Deposit date:2010-10-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the methylation of A1408 in 16S rRNA by a panaminoglycoside resistance methyltransferase NpmA from a clinical isolate and analysis of the NpmA interactions with the 30S ribosomal subunit.
Nucleic Acids Res., 39, 2011
3I5O
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BU of 3i5o by Molmil
The X-ray crystal structure of a thermophilic cellobiose binding protein bound with cellopentaose
Descriptor: Oligopeptide ABC transporter, periplasmic oligopeptide-binding protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Cuneo, M.J, Hellinga, H.W.
Deposit date:2009-07-06
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of Semi-specific Oligosaccharide Recognition by a Cellulose-binding Protein of Thermotoga maritima Reveals Adaptations for Functional Diversification of the Oligopeptide Periplasmic Binding Protein Fold.
J.Biol.Chem., 284, 2009
3HMH
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BU of 3hmh by Molmil
Crystal structure of the second bromodomain of human TBP-associated factor RNA polymerase 1-like (TAF1L)
Descriptor: Transcription initiation factor TFIID 210 kDa subunit
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Zhang, Y, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-05-29
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3P20
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BU of 3p20 by Molmil
Crystal structure of vanadate bound subunit A of the A1AO ATP synthase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ...
Authors:Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G.
Deposit date:2010-10-01
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase.
J.Mol.Biol., 408, 2011
3P32
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BU of 3p32 by Molmil
Hydrolysis of GTP to GDP by an MCM-associated and MeaB- and MMAA-like G-protein from Mycobacterium tuberculosis
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Probable GTPase Rv1496/MT1543, TRIETHYLENE GLYCOL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-10-04
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.
J.Struct.Funct.Genom., 16, 2015
3P2F
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BU of 3p2f by Molmil
Crystal structure of TofI in an apo form
Descriptor: AHL synthase
Authors:Yu, S, Rhee, S.
Deposit date:2010-10-02
Release date:2011-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Proc.Natl.Acad.Sci.USA, 108, 2011

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數據於2024-10-02公開中

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