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1RGO
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BU of 1rgo by Molmil
Structural Basis for Recognition of the mRNA Class II AU-Rich Element by the Tandem Zinc Finger Domain of TIS11d
Descriptor: Butyrate response factor 2, RNA (5'-R(*UP*UP*AP*UP*UP*UP*AP*UP*U)-3'), ZINC ION
Authors:Hudson, B.P, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2003-11-12
Release date:2004-03-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Recognition of the mRNA AU-rich element by the zinc finger domain of TIS11d.
NAT.STRUCT.MOL.BIOL., 11, 2004
1RFX
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BU of 1rfx by Molmil
Crystal Structure of resisitin
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Patel, S.D, Rajala, M.W, Scherer, P.E, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-11-10
Release date:2004-06-08
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Disulfide-dependent multimeric assembly of resistin family hormones
Science, 304, 2004
3M2V
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BU of 3m2v by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-08
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
6HPW
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BU of 6hpw by Molmil
Crystal structure of ENL (MLLT1) in complex with compound 20
Descriptor: 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL
Authors:Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-09-22
Release date:2018-11-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
6HT0
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BU of 6ht0 by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with compound 94
Descriptor: 1,2-ETHANEDIOL, 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
Authors:Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-10-02
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
1SB0
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BU of 1sb0 by Molmil
Solution structure of the KIX domain of CBP bound to the transactivation domain of c-Myb
Descriptor: protein CBP, protein c-Myb
Authors:Zor, T, De Guzman, R.N, Dyson, H.J, Wright, P.E.
Deposit date:2004-02-09
Release date:2004-04-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of the KIX Domain of CBP Bound to the Transactivation Domain of c-Myb
J.Mol.Biol., 337, 2004
1SF2
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BU of 1sf2 by Molmil
Structure of E. coli gamma-aminobutyrate aminotransferase
Descriptor: 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D.
Deposit date:2004-02-19
Release date:2004-09-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase.
Biochemistry, 43, 2004
1S88
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BU of 1s88 by Molmil
NMR structure of a DNA duplex with two INA nucleotides inserted opposite each other, dCTCAACXCAAGCT:dAGCTTGXGTTGAG
Descriptor: 5'-D(*AP*GP*CP*TP*TP*GP*(2DM)P*GP*TP*TP*GP*AP*G)-3', 5'-D(*CP*TP*CP*AP*AP*CP*(2DM)P*CP*AP*AP*GP*CP*T)-3'
Authors:Nielsen, C.B, Petersen, M, Pedersen, E.B, Hansen, P.E, Christensen, U.B.
Deposit date:2004-01-31
Release date:2004-05-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure determination of a modified DNA oligonucleotide containing a new intercalating nucleic acid.
Bioconjug.Chem., 15, 2004
6I8B
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BU of 6i8b by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
Descriptor: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-19
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
3OK0
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BU of 3ok0 by Molmil
E35A Mutant of Hen Egg White Lysozyme (HEWL)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:O'Meara, F, Bradley, J, O'Rourke, P.E, Webb, H, Tynan-Connolly, B.M, Nielsen, J.E.
Deposit date:2010-08-24
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:E35A Mutant of Hen Egg White Lysozyme (HEWL)
TO BE PUBLISHED
1UUA
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BU of 1uua by Molmil
Solution structure of a truncated bovine pancreatic trypsin inhibitor, 3-58 BPTI.
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Zhang, W, Nielsen, C.B, Hansen, P.E.
Deposit date:2003-12-17
Release date:2004-01-29
Last modified:2018-01-17
Method:SOLUTION NMR
Cite:NMR Solution Structures of Modifies and Truncated Bovine Pancreatic Trypsin Inhibitor Proteins (3-58 Bpti'S)
To be Published
3OJP
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BU of 3ojp by Molmil
D52N Mutant of Hen Egg White Lysozyme (HEWL)
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:O'Meara, F, Bradley, J, O'Rourke, P.E, Webb, H, Tynan-Connolly, B.M, Nielsen, J.E.
Deposit date:2010-08-23
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:D52N Mutant of Hen Egg White Lysozyme (HEWL)
TO BE PUBLISHED
1SZS
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BU of 1szs by Molmil
The structure of gamma-aminobutyrate aminotransferase mutant: I50Q
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ...
Authors:Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D.
Deposit date:2004-04-06
Release date:2005-03-01
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase.
Biochemistry, 44, 2005
6GNZ
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BU of 6gnz by Molmil
Plantaricin S-a in 100 mM DPC micelles. This is the alpha part of the bacteriocin plantaricin S.
Descriptor: Plantaricin S alpha protein
Authors:Ekblad, B, Kristiansen, P.E.
Deposit date:2018-06-01
Release date:2019-03-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structures and mutational analysis of the two peptides constituting the bacteriocin plantaricin S.
Sci Rep, 9, 2019
6GO0
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BU of 6go0 by Molmil
PLANTARICIN S-B IN 100 MM DPC MICELLES. THIS IS THE BETA PART OF THE BACTERIOCIN PLANTARICIN S
Descriptor: Plantaricin S beta protein
Authors:Ekblad, B, Kristiansen, P.E.
Deposit date:2018-06-01
Release date:2019-03-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structures and mutational analysis of the two peptides constituting the bacteriocin plantaricin S.
Sci Rep, 9, 2019
1SZU
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BU of 1szu by Molmil
The structure of gamma-aminobutyrate aminotransferase mutant: V241A
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ...
Authors:Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D.
Deposit date:2004-04-06
Release date:2005-03-01
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase.
Biochemistry, 44, 2005
6J3O
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BU of 6j3o by Molmil
Crystal structure of the human PCAF bromodomain in complex with compound 12
Descriptor: 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B
Authors:Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
3P70
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BU of 3p70 by Molmil
Structural basis of thrombin-mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, ...
Authors:Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P.
Deposit date:2010-10-11
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction.
Blood, 117, 2011
1UUB
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BU of 1uub by Molmil
Solution structure of a truncated bovine pancreatic trypsin inhibitor mutant, 3-58 BPTI (K15R, R17A, R42S)
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Zhang, W, Nielsen, C.B, Hansen, P.E.
Deposit date:2003-12-17
Release date:2004-01-29
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR Solution Structures of Modified and Truncated Bovine Pancreatic Trypsin Inhibitor Proteins (3-58 Bpti'S)
To be Published
3P6Z
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BU of 3p6z by Molmil
Structural basis of thrombin mediated factor V activation: essential role of the hirudin-like sequence Glu666-Glu672 for processing at the heavy chain-B domain junction
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Corral-Rodriguez, M.A, Bock, P.E, Hernandez-Carvajal, E, Gutierrez-Gallego, R, Fuentes-Prior, P.
Deposit date:2010-10-11
Release date:2011-06-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of thrombin-mediated factor V activation: the Glu666-Glu672 sequence is critical for processing at the heavy chain-B domain junction.
Blood, 117, 2011
1T56
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BU of 1t56 by Molmil
Crystal structure of TetR family repressor M. tuberculosis EthR
Descriptor: 1,4-DIETHYLENE DIOXIDE, EthR repressor, GLYCEROL
Authors:Dover, L.G, Corsino, P.E, Daniels, I.R, Cocklin, S.L, Tatituri, V, Besra, G.S, Futterer, K.
Deposit date:2004-05-03
Release date:2004-07-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the TetR/CamR Family Repressor Mycobacterium tuberculosis EthR Implicated in Ethionamide Resistance.
J.Mol.Biol., 340, 2004
4KJK
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BU of 4kjk by Molmil
Room Temperature WT DHFR
Descriptor: CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ...
Authors:van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
Deposit date:2013-05-03
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
4M6J
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BU of 4m6j by Molmil
Crystal structure of human dihydrofolate reductase (DHFR) bound to NADPH
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A.
Deposit date:2013-08-09
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Divergent evolution of protein conformational dynamics in dihydrofolate reductase.
Nat.Struct.Mol.Biol., 20, 2013
4M6K
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BU of 4m6k by Molmil
Crystal structure of human dihydrofolate reductase (DHFR) bound to NADP+ and folate
Descriptor: Dihydrofolate reductase, FOLIC ACID, GLYCEROL, ...
Authors:Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A.
Deposit date:2013-08-09
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.396 Å)
Cite:Divergent evolution of protein conformational dynamics in dihydrofolate reductase.
Nat.Struct.Mol.Biol., 20, 2013
4KJL
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BU of 4kjl by Molmil
Room Temperature N23PPS148A DHFR
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
Deposit date:2013-05-03
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013

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