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4QF1
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BU of 4qf1 by Molmil
Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CH59UA Fab fragment of heavy chain, CHLORIDE ION, ...
Authors:Wiehe, K, Easterhoff, D, Luo, K, Nicely, N.I, Bradley, T, Jaeger, F.H, Dennison, S.M, Zhang, R, Lloyd, K.E, Stolarchuk, C, Parks, R, Sutherland, L.L, Scearce, R.M, Morris, L, Kaewkungwal, J, Nitayaphan, S, Pitisuttithum, P, Rerks-Ngarm, S, Michael, N, Kim, J, Kelsoe, G, Montefiori, D.C, Tomaras, G, Bonsignori, M, Santra, S, Kepler, T.B, Alam, S.M, Moody, M.A, Liao, H.-X, Haynes, B.F.
Deposit date:2014-05-19
Release date:2015-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 HIV-1 Vaccine Trial Is Phylogenetically Conserved.
Immunity, 41, 2014
4QI2
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BU of 4qi2 by Molmil
X-ray structure of the ROQ domain from murine Roquin-1 in complex with a 23-mer Tnf-CDE RNA
Descriptor: RNA (5'-R(*AP*CP*AP*UP*GP*UP*UP*UP*UP*CP*UP*GP*UP*GP*AP*AP*AP*AP*CP*GP*GP*AP*G)-3'), Roquin-1
Authors:Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
Deposit date:2014-05-30
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation.
Nat.Struct.Mol.Biol., 21, 2014
4PW8
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BU of 4pw8 by Molmil
Human tryptophan 2,3-dioxygenase
Descriptor: COBALT (II) ION, Tryptophan 2,3-dioxygenase
Authors:Meng, B, Wu, D, Gu, J.H, Ouyang, S.Y, Ding, W, Liu, Z.J.
Deposit date:2014-03-19
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Structural and functional analyses of human tryptophan 2,3-dioxygenase
Proteins, 82, 2014
4PX7
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BU of 4px7 by Molmil
Crystal structure of lipid phosphatase E. coli PgpB
Descriptor: GLYCEROL, LAURYL DIMETHYLAMINE-N-OXIDE, Phosphatidylglycerophosphatase
Authors:Fan, J, Jiang, D, Zhao, Y, Zhang, X.C.
Deposit date:2014-03-22
Release date:2014-05-28
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of lipid phosphatase Escherichia coli phosphatidylglycerophosphate phosphatase B.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PYM
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BU of 4pym by Molmil
humanized rat apo-COMT bound to sulphate
Descriptor: Catechol O-methyltransferase, POTASSIUM ION, SULFATE ION
Authors:Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2014-03-27
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4Q6P
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BU of 4q6p by Molmil
Structural analysis of the Zn-form I of Helicobacter pylori Csd4, a D,L-carboxypeptidase
Descriptor: 2,6-DIAMINOPIMELIC ACID, CALCIUM ION, Conserved hypothetical secreted protein, ...
Authors:Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W.
Deposit date:2014-04-23
Release date:2014-11-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape
Acta Crystallogr.,Sect.D, 70, 2014
4PYK
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BU of 4pyk by Molmil
human COMT, double domain swap
Descriptor: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2014-03-27
Release date:2014-06-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYP
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BU of 4pyp by Molmil
Crystal structure of the human glucose transporter GLUT1
Descriptor: Solute carrier family 2, facilitated glucose transporter member 1, nonyl beta-D-glucopyranoside
Authors:Deng, D, Yan, C.Y, Xu, C, Wu, J.P, Sun, P.C, Hu, M.X, Yan, N.
Deposit date:2014-03-27
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.166 Å)
Cite:Crystal structure of the human glucose transporter GLUT1
Nature, 510, 2014
4Q6O
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BU of 4q6o by Molmil
Structural analysis of the mDAP-bound form of Helicobacter pylori Csd4, a D,L-carboxypeptidase
Descriptor: 2,6-DIAMINOPIMELIC ACID, CALCIUM ION, Conserved hypothetical secreted protein, ...
Authors:Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W.
Deposit date:2014-04-23
Release date:2014-11-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape
Acta Crystallogr.,Sect.D, 70, 2014
4QKZ
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BU of 4qkz by Molmil
X-ray structure of the catalytic domain of MMP-8 with the inhibitor ML115
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Neutrophil collagenase, ...
Authors:Pochetti, G, Montanari, R, Capelli, D, Tortorella, P.
Deposit date:2014-06-10
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Bone-Seeking Matrix Metalloproteinase Inhibitors for the Treatment of Skeletal Malignancy.
Pharmaceuticals, 13, 2020
4QAY
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BU of 4qay by Molmil
Crystal structure of TamA POTRA domains
Descriptor: PHOSPHATE ION, Translocation and assembly module TamA
Authors:Wojdyla, J.A, Mosbahi, K, Walker, D, Kleanthous, C.
Deposit date:2014-05-06
Release date:2015-11-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Recognition of autotransporter passenger domains by the TAM complex
To be Published
4PWB
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BU of 4pwb by Molmil
Phl p 4 I153V variant, a glucose oxidase, pressurized with Xenon
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ...
Authors:Zafred, D, Keller, W, Macheroux, P.
Deposit date:2014-03-19
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
4QCB
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BU of 4qcb by Molmil
Protein-DNA complex of Vaccinia virus D4 with double-stranded non-specific DNA
Descriptor: 5'-D(*GP*CP*AP*AP*AP*CP*GP*TP*TP*TP*GP*C)-3', GLYCEROL, Uracil-DNA glycosylase
Authors:Schormann, N, Banerjee, S, Ricciardi, R, Chattopadhyay, D.
Deposit date:2014-05-09
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Binding of undamaged double stranded DNA to vaccinia virus uracil-DNA Glycosylase.
BMC Struct. Biol., 15, 2015
4PZF
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BU of 4pzf by Molmil
Berberine bridge enzyme G164A variant, a reticuline dehydrogenase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DODECAETHYLENE GLYCOL, ...
Authors:Zafred, D, Wallner, S, Steiner, B, Macheroux, P.
Deposit date:2014-03-30
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
4PVG
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BU of 4pvg by Molmil
Crystal structure of protein tyrosine phosphatase Shp2 catalytic domain complex with small molecular compound L88N79
Descriptor: 2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1H-indole-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 11
Authors:Zhang, Z.-Y, Zeng, L, Liu, D, Yu, Z.
Deposit date:2014-03-17
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of protein tyrosine Shp2 catalytic domain complex with compound L88N79
To be Published
4PVJ
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BU of 4pvj by Molmil
Phl p 4 I153V variant, a glucose oxidase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ...
Authors:Zafred, D, Teufelberger, A, Keller, W, Macheroux, P.
Deposit date:2014-03-17
Release date:2014-04-02
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
4PXN
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BU of 4pxn by Molmil
Structure of Zm ALDH7 in complex with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Uncharacterized protein
Authors:Morera, S, Vigouroux, A, Kopecny, D.
Deposit date:2014-03-24
Release date:2015-03-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7.
Biochem.J., 468, 2015
4QM1
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BU of 4qm1 by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67
Descriptor: 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Mandapati, K, Gollapalli, D, Gorla, S.K, Zhang, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-06-14
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7964 Å)
Cite:Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67
To be Published, 2014
4QDA
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BU of 4qda by Molmil
Crystal structure of mutant Thioesterase PA1618 (E64A) from Pseudomonas aeruginosa
Descriptor: Thioesterase PA1618
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QD8
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BU of 4qd8 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa in complex with phenacyl-CoA
Descriptor: Thioesterase PA1618, phenacyl coenzyme A
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.616 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QDB
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BU of 4qdb by Molmil
Crystal structure of mutant Thioesterase PA1618 (Q49A) from Pseudomonas aeruginosa
Descriptor: Thioesterase PA1618
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.023 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QOZ
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BU of 4qoz by Molmil
Crystal structure of the histone mRNA stem-loop, stem-loop binding protein (phosphorylated), and 3'hExo ternary complex
Descriptor: 3'-5' exoribonuclease 1, Histone RNA hairpin-binding protein, histone mRNA stem-loop
Authors:Tan, D, Tong, L.
Deposit date:2014-06-21
Release date:2014-07-23
Last modified:2014-08-06
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Molecular mechanisms for the regulation of histone mRNA stem-loop-binding protein by phosphorylation.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QYO
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BU of 4qyo by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 14-22
Descriptor: Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2
Authors:Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S.
Deposit date:2014-07-24
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.208 Å)
Cite:Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
4R1V
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BU of 4r1v by Molmil
Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors
Descriptor: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor
Authors:Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O.
Deposit date:2014-08-07
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4R3S
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BU of 4r3s by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 11-23
Descriptor: FV FRAGMENT(MAB6D8) HEAVY CHAIN, FV FRAGMENT(MAB6D8) LIGHT CHAIN, Merozoite surface protein
Authors:Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S.
Deposit date:2014-08-18
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate
Sci Rep, 5, 2015

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