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3U13
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BU of 3u13 by Molmil
Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-29
Release date:2011-11-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3UAK
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BU of 3uak by Molmil
Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural Genomics Consortium Target OR54
Descriptor: De Novo designed cysteine esterase ECH14
Authors:Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-10-21
Release date:2011-12-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.232 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3SY9
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BU of 3sy9 by Molmil
Crystal structure of Pseudomonas aeruginosa OccD2 (OpdC)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Histidine porin OpdC, octyl beta-D-glucopyranoside
Authors:van den Berg, B, Eren, E.
Deposit date:2011-07-16
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3T1T
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BU of 3t1t by Molmil
MglA bound to GDP in P1 tetrameric arrangement
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Gliding protein mglA
Authors:Miertzschke, M, Vetter, I.R, Koerner, C, Wittinghofer, A.
Deposit date:2011-07-22
Release date:2011-08-31
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the Ras-like G protein MglA and its cognate GAP MglB and implications for bacterial polarity.
Embo J., 30, 2011
3T0S
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BU of 3t0s by Molmil
Crystal structure of Pseudomonas aeruginosa OccK4 (OpdL)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, porin
Authors:van den Berg, B, Eren, E.
Deposit date:2011-07-20
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3T2T
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BU of 3t2t by Molmil
Crystal structure of human galectin-1 in complex with methyl 2-O-acetyl-3-O-toluoyl-beta-D-talopyranoside
Descriptor: Galectin-1, methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Blanchard, H, Collins, P.M.
Deposit date:2011-07-23
Release date:2011-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Taloside inhibitors of galectin-1 and galectin-3
Chem.Biol.Drug Des., 79, 2012
3T1L
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BU of 3t1l by Molmil
Crystal structure of human Galectin-3 in complex with methyl 2-O-acetyl-3-O-toluoyl-beta-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Blanchard, H, Collins, P.M.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Taloside inhibitors of galectin-1 and galectin-3
Chem.Biol.Drug Des., 79, 2012
3T1Q
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BU of 3t1q by Molmil
MglA bound to GppNHp in complex with MglB
Descriptor: Gliding protein MglB, Gliding protein mglA, MAGNESIUM ION, ...
Authors:Miertzschke, M, Vetter, I.R, Koerner, C, Wittinghofer, A.
Deposit date:2011-07-22
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of the Ras-like G protein MglA and its cognate GAP MglB and implications for bacterial polarity.
Embo J., 30, 2011
3T1X
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BU of 3t1x by Molmil
MglB R124A E127A Monomer
Descriptor: Gliding protein MglB
Authors:Miertzschke, M, Vetter, I.R, Koerner, C, Wittinghofer, A.
Deposit date:2011-07-22
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural analysis of the Ras-like G protein MglA and its cognate GAP MglB and implications for bacterial polarity.
Embo J., 30, 2011
3T5B
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BU of 3t5b by Molmil
Crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis
Descriptor: PROBABLE CHAIN-FATTY-ACID-CoA LIGASE FADD13
Authors:Goyal, A, Sankaranarayanan, R.
Deposit date:2011-07-27
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis of the functional divergence of fatty acyl-AMP ligase biosynthetic enzymes of Mycobacterium tuberculosis.
J.Mol.Biol., 416, 2012
3T6Y
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BU of 3t6y by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3RLP
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BU of 3rlp by Molmil
Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
Descriptor: 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha, PHOSPHATE ION
Authors:Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R.
Deposit date:2011-04-20
Release date:2011-06-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
3R8F
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BU of 3r8f by Molmil
Replication initiator DnaA bound to AMPPCP and single-stranded DNA
Descriptor: 5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3', Chromosomal replication initiator protein dnaA, MAGNESIUM ION, ...
Authors:Duderstadt, K.E, Chuang, K, Berger, J.M.
Deposit date:2011-03-23
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.366 Å)
Cite:DNA stretching by bacterial initiators promotes replication origin opening.
Nature, 478, 2011
3RBZ
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BU of 3rbz by Molmil
MthK channel, Ca2+-bound
Descriptor: CALCIUM ION, Calcium-gated potassium channel mthK
Authors:Taylor, A.B, Parfenova, L.V, Rothberg, B.S.
Deposit date:2011-03-30
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of multiple Ca2+-binding sites in a K+ channel RCK domain
Proc.Natl.Acad.Sci.USA, 2011
3R7P
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BU of 3r7p by Molmil
The crystal structure of I-LtrI
Descriptor: DNA (5'-D(*CP*AP*AP*AP*TP*GP*CP*TP*CP*CP*TP*AP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*TP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*T)-3'), DNA (5'-D(P*AP*GP*GP*AP*GP*CP*AP*TP*TP*TP*G)-3'), ...
Authors:Mak, A.N.S, Takeuchi, R, Edgell, D.R, Stoddard, B.L.
Deposit date:2011-03-22
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Tapping natural reservoirs of homing endonucleases for targeted gene modification.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U1O
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BU of 3u1o by Molmil
THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49
Descriptor: De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE ION
Authors:Kuzin, A, Su, M, Lew, S, Forouhar, F, Seetharaman, J, Daya, P, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-10-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3U1V
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BU of 3u1v by Molmil
X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52
Descriptor: De Novo design cysteine esterase FR29
Authors:Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-12-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3U9U
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BU of 3u9u by Molmil
Crystal Structure of Extracellular Domain of Human ErbB4/Her4 in complex with the Fab fragment of mAb1479
Descriptor: Fab Heavy Chain, Fab Light Chain, Receptor tyrosine-protein kinase erbB-4
Authors:Hollmen, M, Liu, P, Wildiers, H, Reinvall, I, Vandorpe, T, Smeets, A, Deraedt, K, Vahlberg, T, Joensuu, H, Leahy, D.J, Schoffski, P, Elenius, K.
Deposit date:2011-10-19
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Proteolytic processing of ErbB4 in breast cancer.
Plos One, 7, 2012
3RRN
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BU of 3rrn by Molmil
S. cerevisiae dbp5 l327v bound to gle1 h337r and ip6
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DBP5, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Montpetit, B, Thomsen, N.D, Helmke, K.J, Seeliger, M.A, Berger, J.M, Weis, K.
Deposit date:2011-04-29
Release date:2011-05-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.001 Å)
Cite:A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP6 in mRNA export.
Nature, 472, 2011
3REV
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BU of 3rev by Molmil
Crystal structure of human alloreactive tcr nb20
Descriptor: 1,2-ETHANEDIOL, TCR NB20 ALPHA CHAIN, TCR NB20 BETA CHAIN
Authors:Wood, A, Mohammed, F, Salim, M, Tranter, A, Rickinson, A.B, Moss, P.A.H, Stauss, H.J, Steven, N.M, Willcox, B.E.
Deposit date:2011-04-05
Release date:2012-01-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and energetic evidence for highly peptide-specific tumor antigen targeting via allo-MHC restriction.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SY7
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BU of 3sy7 by Molmil
Improved crystal structure of Pseudomonas aeruginosa OprD
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Porin D
Authors:van den Berg, B, Eren, E.
Deposit date:2011-07-15
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3T20
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BU of 3t20 by Molmil
Crystal structure of Pseudomonas aeruginosa OccK5 (OpdH)
Descriptor: Cis-aconitate porin OpdH
Authors:van den Berg, B, Eren, E.
Deposit date:2011-07-22
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3SYS
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BU of 3sys by Molmil
Improved crystal structure of Pseudomonas aeruginosa OccK1 (OpdK)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, 4-HYDROXY-3-METHOXYBENZOATE, ...
Authors:van den Berg, B, Eren, E.
Deposit date:2011-07-18
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate Specificity within a Family of Outer Membrane Carboxylate Channels.
Plos Biol., 10, 2012
3SQ0
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BU of 3sq0 by Molmil
DNA Polymerase(L561A/S565G/Y567A) Ternary Complex with dUpNpp Opposite dA (Mn2+)
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3', 5'-D(*TP*CP*AP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ...
Authors:Xia, S, Konigsberg, W.H, Wang, J.
Deposit date:2011-07-04
Release date:2011-10-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase.
Biochemistry, 50, 2011
3T1S
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BU of 3t1s by Molmil
MglB Homodimer
Descriptor: Gliding protein MglB
Authors:Miertzschke, M, Vetter, I.R, Koerner, C, Wittinghofer, A.
Deposit date:2011-07-22
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural analysis of the Ras-like G protein MglA and its cognate GAP MglB and implications for bacterial polarity.
Embo J., 30, 2011

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