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3FTN
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BU of 3ftn by Molmil
Q165E/S254K Double Mutant Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-295 of T. brockii ADH by C. beijerinckii ADH
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Frolow, F, Goihberg, E, Shimon, L, Burstein, Y.
Deposit date:2009-01-13
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:Biochemical and structural properties of chimeras constructed by exchange of cofactor-binding domains in alcohol dehydrogenases from thermophilic and mesophilic microorganisms.
Biochemistry, 49, 2010
3FUV
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BU of 3fuv by Molmil
Apo-form of T. thermophilus 16S rRNA A1518 and A1519 methyltransferase (KsgA) in space group P43212
Descriptor: Dimethyladenosine transferase
Authors:Demirci, H, Belardinelli, R, Seri, E, Gregory, S.T, Gualerzi, C, Dahlberg, A.E, Jogl, G.
Deposit date:2009-01-14
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural rearrangements in the active site of the Thermus thermophilus 16S rRNA methyltransferase KsgA in a binary complex with 5'-methylthioadenosine.
J.Mol.Biol., 388, 2009
3FXL
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BU of 3fxl by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Citrate at 1 mM of Mn2+
Descriptor: CITRATE ANION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
3FW1
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BU of 3fw1 by Molmil
Quinone Reductase 2
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Winger, J.A, Hantschel, O, Superti-Furga, G, Kuriyan, J.
Deposit date:2009-01-16
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of the leukemia drug imatinib bound to human quinone reductase 2 (NQO2).
Bmc Struct.Biol., 9, 2009
3FYT
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BU of 3fyt by Molmil
Crystal structure of Bacillus pumilus acetyl xylan esterase S181A mutant in complex with beta-D-xylopyranose
Descriptor: Acetyl xylan esterase, CHLORIDE ION, beta-D-xylopyranose
Authors:Krastanova, I, Cassetta, A, Lamba, D.
Deposit date:2009-01-23
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural and functional studies of Bacillus pumilus acetyl xylan esterase
To be Published
3FWB
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BU of 3fwb by Molmil
Sac3:Sus1:Cdc31 complex
Descriptor: Cell division control protein 31, Nuclear mRNA export protein SAC3, Protein SUS1
Authors:Stewart, M, Jani, D.
Deposit date:2009-01-17
Release date:2009-04-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Sus1, Cdc31, and the Sac3 CID region form a conserved interaction platform that promotes nuclear pore association and mRNA export.
Mol.Cell, 33, 2009
3G0L
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BU of 3g0l by Molmil
Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Filippakopoulos, P, Keates, T, Salah, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-01-28
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B)
To be Published
3FWK
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BU of 3fwk by Molmil
Crystal Structure of Candida glabrata FMN Adenylyltransferase
Descriptor: CHLORIDE ION, FMN Adenylyltransferase, beta-D-glucopyranose
Authors:Huerta, C, Borek, D, Zhang, H.
Deposit date:2009-01-18
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure and mechanism of a eukaryotic FMN adenylyltransferase.
J.Mol.Biol., 389, 2009
3FXA
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BU of 3fxa by Molmil
Crystal structure of a putative sugar-phosphate isomerase (lmof2365_0531) from listeria monocytogenes str. 4b f2365 at 1.60 A resolution
Descriptor: 1,2-ETHANEDIOL, SIS domain protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-01-20
Release date:2009-02-03
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of putative sugar-phosphate isomerase (YP_013136.1) from Listeria monocytogenes 4b F2365 at 1.60 A resolution
To be published
3I55
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BU of 3i55 by Molmil
Co-crystal structure of Mycalamide A Bound to the Large Ribosomal Subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ...
Authors:Gurel, G, Blaha, G, Steitz, T.A, Moore, P.B.
Deposit date:2009-07-03
Release date:2010-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structures of triacetyloleandomycin and mycalamide A bind to the large ribosomal subunit of Haloarcula marismortui.
Antimicrob.Agents Chemother., 53, 2009
3HQY
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BU of 3hqy by Molmil
Discovery of novel inhibitors of PDE10A
Descriptor: 2-({4-[4-(pyridin-4-ylmethyl)-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 (2 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
3HR8
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BU of 3hr8 by Molmil
Crystal Structure of Thermotoga maritima RecA
Descriptor: Protein recA
Authors:Lee, S, Kim, T.G, Jeong, E.-Y, Ban, C, Jeon, W.-J, Min, K.I, Song, K.-M, Heo, S.-D, Ku, J.K.
Deposit date:2009-06-09
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of RecA Protein from Thermotoga maritima MSB8
to be published
3HRF
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BU of 3hrf by Molmil
Crystal structure of Human PDK1 kinase domain in complex with an allosteric activator bound to the PIF-pocket
Descriptor: (2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid, 3-phosphoinositide-dependent protein kinase 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Hindie, V, Alzari, P.M, Biondi, R.M.
Deposit date:2009-06-09
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and allosteric effects of low-molecular-weight activators on the protein kinase PDK1.
Nat.Chem.Biol., 5, 2009
3HRP
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BU of 3hrp by Molmil
Crystal structure of Structural genomics protein of unknown function (NP_812590.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-06-09
Release date:2009-08-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Structural genomics protein of unknown function (NP_812590.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution
To be Published
3HRZ
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BU of 3hrz 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 (2.2 Å)
Cite:Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Embo J., 28, 2009
3HT8
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BU of 3ht8 by Molmil
5-chloro-2-methylphenol in complex with T4 lysozyme L99A/M102Q
Descriptor: 5-chloro-2-methylphenol, Lysozyme, PHOSPHATE ION
Authors:Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
Deposit date:2009-06-11
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
3HTG
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BU of 3htg by Molmil
2-ethoxy-3,4-dihydro-2h-pyran in complex with T4 lysozyme L99A/M102Q
Descriptor: (2S)-2-ethoxy-3,4-dihydro-2H-pyran, BETA-MERCAPTOETHANOL, Lysozyme, ...
Authors:Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
Deposit date:2009-06-11
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
3HTP
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BU of 3htp by Molmil
the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTa
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y.
Deposit date:2009-06-12
Release date:2009-08-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
3HMF
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BU of 3hmf by Molmil
Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein polybromo-1, ...
Authors:Filippakopoulos, P, Picaud, S, Keates, T, Muniz, J, 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 (1.63 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3HMU
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BU of 3hmu by Molmil
Crystal structure of a class III aminotransferase from Silicibacter pomeroyi
Descriptor: Aminotransferase, class III, CHLORIDE ION, ...
Authors:Toro, R, Bonanno, J.B, Ramagopal, U, Freeman, J, Bain, K.T, Miller, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-05-29
Release date:2009-07-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a class III aminotransferase from Silicibacter pomeroyi
To be Published
3HNB
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BU of 3hnb by Molmil
Factor VIII Trp2313-His2315 segment is involved in membrane binding as shown by crystal structure of complex between factor VIII C2 domain and an inhibitor
Descriptor: (2R)-1-(2,4-dichlorophenoxy)-3-[(2E)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol, Coagulation factor VIII
Authors:Liu, Z, Yuan, C.
Deposit date:2009-05-31
Release date:2010-01-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Trp2313-His2315 of factor VIII C2 domain is involved in membrane binding: structure of a complex between the C2 domain and an inhibitor of membrane binding.
J.Biol.Chem., 285, 2010
3HNI
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BU of 3hni by Molmil
Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-1
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
Authors:Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
Deposit date:2009-05-31
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HO1
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BU of 3ho1 by Molmil
Crystal structure of T. thermophilus Argonaute N546 mutant protein complexed with DNA guide strand and 12-nt RNA target strand
Descriptor: 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*T*AP*GP*T)-3', 5'-R(P*CP*CP*UP*AP*CP*UP*AP*CP*CP*UP*CP*G)-3', MAGNESIUM ION, ...
Authors:Wang, Y, Li, H, Sheng, G, Patel, D.J.
Deposit date:2009-06-01
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nucleation, propagation and cleavage of target RNAs in Ago silencing complexes.
Nature, 461, 2009
3HOT
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BU of 3hot by Molmil
Crystal structure of the Mos1 mariner paired end complex with Mn
Descriptor: MANGANESE (II) ION, Mos1 NTS inverted repeat DNA, Mos1 TS inverted repeat DNA, ...
Authors:Richardson, J.M, Walkinshaw, M.D.
Deposit date:2009-06-03
Release date:2009-09-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Molecular architecture of the Mos1 paired-end complex: the structural basis of DNA transposition in a eukaryote
Cell(Cambridge,Mass.), 138, 2009
3HZ3
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BU of 3hz3 by Molmil
Lactobacillus reuteri N-terminally truncated glucansucrase GTF180(D1025N)-sucrose complex
Descriptor: CALCIUM ION, Glucansucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W.
Deposit date:2009-06-23
Release date:2010-06-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010

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