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4DB1
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BU of 4db1 by Molmil
Cardiac human myosin S1dC, beta isoform complexed with Mn-AMPPNP
Descriptor: MANGANESE (II) ION, Myosin-7, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Klenchin, V.A, Deacon, J.C, Combs, A.C, Leinwand, L.A, Rayment, I.
Deposit date:2012-01-13
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cardiac human myosin S1dC, beta isoform complexed with Mn-AMPPNP
To be Published
4DER
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BU of 4der by Molmil
Crystal Structure of the Wild Type TTR Binding Apigenin (TTRwt:API)
Descriptor: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, GLYCEROL, Transthyretin
Authors:Trivella, D.B.B, Polikarpov, I.
Deposit date:2012-01-21
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Flavonoid interactions with human transthyretin: Combined structural and thermodynamic analysis.
J.Struct.Biol., 180, 2012
2HY7
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BU of 2hy7 by Molmil
Crystal Structure of GumK, a beta-glucuronosyltransferase from Xanthomonas campestris
Descriptor: Glucuronosyltransferase GumK
Authors:Barreras, M.
Deposit date:2006-08-04
Release date:2008-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and mechanism of GumK, a membrane-associated glucuronosyltransferase.
J.Biol.Chem., 283, 2008
2O4T
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BU of 2o4t by Molmil
CRYSTAL STRUCTURE OF a protein of the DUF1048 family with a left-handed superhelix fold (BH3976) FROM BACILLUS HALODURANS AT 1.95 A RESOLUTION
Descriptor: BH3976 protein, DI(HYDROXYETHYL)ETHER
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-12-04
Release date:2006-12-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of BH3976 (10176601) from Bacillus halodurans at 1.95 A resolution
To be published
2HYY
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BU of 2hyy by Molmil
Human Abl kinase domain in complex with imatinib (STI571, Glivec)
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-08
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
4DGA
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BU of 4dga by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: HIV-1 CA(O-loop) complex
Descriptor: TRIMCyp, capsid protein
Authors:Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
Deposit date:2012-01-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
3ODP
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BU of 3odp by Molmil
Crystal structure of a putative tagatose-6-phosphate ketose/aldose isomerase (NT01CX_0292) from CLOSTRIDIUM NOVYI NT at 2.35 A resolution
Descriptor: PHOSPHATE ION, TETRAETHYLENE GLYCOL, putative tagatose-6-phosphate ketose/aldose isomerase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-08-11
Release date:2010-12-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a putative tagatose-6-phosphate ketose/aldose isomerase (NT01CX_0292) from CLOSTRIDIUM NOVYI NT at 2.35 A resolution
To be published
4DGN
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BU of 4dgn by Molmil
Crystal Structure of maize CK2 in complex with the inhibitor luteolin
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Casein kinase II subunit alpha
Authors:Lolli, G, Mazzorana, M, Battistutta, R.
Deposit date:2012-01-26
Release date:2012-08-01
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
3OE1
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BU of 3oe1 by Molmil
Pyruvate decarboxylase variant Glu473Asp from Z. mobilis in complex with reaction intermediate 2-lactyl-ThDP
Descriptor: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, GLYCEROL, MAGNESIUM ION, ...
Authors:Meyer, D, Neumann, P, Parthier, C, Tittmann, K.
Deposit date:2010-08-12
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.985 Å)
Cite:Double duty for a conserved glutamate in pyruvate decarboxylase: evidence of the participation in stereoelectronically controlled decarboxylation and in protonation of the nascent carbanion/enamine intermediate .
Biochemistry, 49, 2010
2OA0
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BU of 2oa0 by Molmil
Crystal structure of Calcium ATPase with bound ADP and cyclopiazonic acid
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Young, H.S, Moncoq, K.A.
Deposit date:2006-12-14
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The molecular basis for cyclopiazonic Acid inhibition of the sarcoplasmic reticulum calcium pump.
J.Biol.Chem., 282, 2007
3OF8
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BU of 3of8 by Molmil
Structural Basis for Reversible and Irreversible Inhibition of Human Cathepsin L by their Respective Dipeptidyl Glyoxal and Diazomethylketone Inhibitors
Descriptor: Cathepsin L1, Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-L-phenylalaninamide
Authors:Shenoy, R.T, Sivaraman, J.
Deposit date:2010-08-14
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for reversible and irreversible inhibition of human cathepsin L by their respective dipeptidyl glyoxal and diazomethylketone inhibitors.
J.Struct.Biol., 173, 2011
3OFE
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BU of 3ofe by Molmil
Structured Domain of Drosophila melanogaster Boca p41 2 2 Crystal form
Descriptor: LDLR chaperone boca
Authors:Collins, M.N, Hendrickson, W.A.
Deposit date:2010-08-14
Release date:2011-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structural Characterization of the Boca/Mesd Maturation Factors for LDL-Receptor-Type beta-Propeller Domains
Structure, 2011
4DAL
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BU of 4dal by Molmil
Crystal structure of Putative aldehyde dehydrogenase from Sinorhizobium meliloti 1021
Descriptor: GLYCEROL, Putative aldehyde dehydrogenase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-01-12
Release date:2012-03-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Putative aldehyde dehydrogenase from Sinorhizobium meliloti 1021
To be Published
3OFG
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BU of 3ofg by Molmil
Structured Domain of Caenorhabditis elegans BMY-1
Descriptor: Boca/mesd chaperone for ywtd beta-propeller-egf protein 1, CHLORIDE ION
Authors:Collins, M.N, Hendrickson, W.A.
Deposit date:2010-08-14
Release date:2011-03-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.367 Å)
Cite:Structural Characterization of the Boca/Mesd Maturation Factors for LDL-Receptor-Type beta-Propeller Domains
Structure, 2011
3OG6
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BU of 3og6 by Molmil
The crystal structure of human interferon lambda 1 complexed with its high affinity receptor in space group P212121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Interleukin 28 receptor, ...
Authors:Miknis, Z.J, Magracheva, E, Lei, W, Zdanov, A, Kotenko, S.V, Wlodawer, A.
Deposit date:2010-08-16
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Crystal structure of the complex of human interferon-lambda1 with its high affinity receptor interferon-lambdaR1.
J.Mol.Biol., 404, 2010
3OGC
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BU of 3ogc by Molmil
KcsA E71A variant in presence of Na+
Descriptor: SODIUM ION, Voltage-gated potassium channel, antibody Fab fragment heavy chain, ...
Authors:McCoy, J.G, Nimigean, C.M.
Deposit date:2010-08-16
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Mechanism for selectivity-inactivation coupling in KcsA potassium channels.
Proc.Natl.Acad.Sci.USA, 108, 2011
4DDY
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BU of 4ddy by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 10
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
Authors:Nichols, D.A, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DQ1
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BU of 4dq1 by Molmil
Thymidylate synthase from Staphylococcus aureus.
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Osipiuk, J, Holowicki, J, Jedrzejczak, R, Rubin, E, Guinn, K, Ioerger, T, Baker, D, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2012-02-14
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Thymidylate synthase from Staphylococcus aureus.
To be Published
3OBZ
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BU of 3obz by Molmil
Crystal structure of human phytanoyl-COA dioxygenase phyhd1 2-oxoglutarate and iron complex
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase domain-containing protein 1
Authors:Zhang, Z, McDonough, M.A, Schofield, C.J.
Deposit date:2010-08-09
Release date:2010-09-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Human PHYHD1, a Non-Heme Fe(II) and 2-Oxoglutarate Dependent Oxygenase Related to Phytanoyl-CoA Hydroxylase
To be Published
4DQE
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BU of 4dqe by Molmil
Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, Aspartyl protease
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
2OIP
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BU of 2oip by Molmil
Crystal Structure of the S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Chain A, ...
Authors:Martucci, W.E, Vargo, M.A.
Deposit date:2007-01-11
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nonconserved residues Ala287 and Ser290 of the Cryptosporidium hominis thymidylate synthase domain facilitate its rapid rate of catalysis
Biochemistry, 46, 2007
2NSC
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BU of 2nsc by Molmil
Structures of and interactions between domains of trigger factor from Themotoga maritima
Descriptor: Trigger factor
Authors:Martinez-Hackert, E, Hendrickson, W.A.
Deposit date:2006-11-03
Release date:2007-03-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of and interactions between domains of trigger factor from Thermotoga maritima.
Acta Crystallogr.,Sect.D, 63, 2007
2OD7
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BU of 2od7 by Molmil
Crystal Structure of yHst2 bound to the intermediate analogue ADP-HPD, and and aceylated H4 peptide
Descriptor: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Acetylated histone H4 peptide, NAD-dependent deacetylase HST2, ...
Authors:Marmorstein, R.Q, Sanders, B.D.
Deposit date:2006-12-21
Release date:2007-02-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes.
Mol.Cell, 25, 2007
2NVH
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BU of 2nvh by Molmil
Determination of Solvent Content in Cavities in Interleukin-1 Using Experimentally-Phased Electron Density
Descriptor: Interleukin-1 beta, SULFATE ION
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:2006-11-12
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Determination of solvent content in cavities in IL-1beta using experimentally phased electron density
Proc.Natl.Acad.Sci.Usa, 103, 2006
2OEW
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BU of 2oew by Molmil
Structure of ALIX/AIP1 Bro1 Domain
Descriptor: Programmed cell death 6-interacting protein
Authors:Fisher, R.D, Zhai, Q, Robinson, H, Hill, C.P.
Deposit date:2007-01-01
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Biochemical Studies of ALIX/AIP1 and Its Role in Retrovirus Budding
Cell(Cambridge,Mass.), 128, 2007

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