2GF5
 
 | | Structure of intact FADD (MORT1) | | Descriptor: | FADD protein | | Authors: | Carrington, P.E, Sandu, C, Wei, Y, Hill, J.M, Morisawa, G, Huang, T, Gavathiotis, E, Wei, Y, Werner, M.H. | | Deposit date: | 2006-03-21 | | Release date: | 2006-06-27 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | The Structure of FADD and Its Mode of Interaction with Procaspase-8
Mol.Cell, 22, 2006
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2HDP
 | | Solution Structure of Hdm2 RING Finger Domain | | Descriptor: | Ubiquitin-protein ligase E3 Mdm2, ZINC ION | | Authors: | Kostic, M, Matt, T, Yamout-Martinez, M, Dyson, H.J, Wright, P.E. | | Deposit date: | 2006-06-20 | | Release date: | 2006-11-21 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Hdm2 C2H2C4 RING, a domain critical for ubiquitination of p53.
J.Mol.Biol., 363, 2006
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2GP8
 | | NMR SOLUTION STRUCTURE OF THE COAT PROTEIN-BINDING DOMAIN OF BACTERIOPHAGE P22 SCAFFOLDING PROTEIN | | Descriptor: | PROTEIN (SCAFFOLDING PROTEIN) | | Authors: | Sun, Y, Parker, M.H, Weigele, P, Casjens, S, Prevelige Jr, P.E, Krishna, N.R. | | Deposit date: | 1999-05-11 | | Release date: | 1999-05-17 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure of the coat protein-binding domain of the scaffolding protein from a double-stranded DNA virus.
J.Mol.Biol., 297, 2000
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4KJL
 | | 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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4KJJ
 | | Cryogenic WT 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 (1.15 Å) | | Cite: | Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
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4KJK
 | | 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
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4M6L
 | | Crystal structure of human dihydrofolate reductase (DHFR) bound to NADP+ and 5,10-dideazatetrahydrofolic acid | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dihydrofolate reductase, N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid, ... | | 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 (1.7 Å) | | Cite: | Divergent evolution of protein conformational dynamics in dihydrofolate reductase.
Nat.Struct.Mol.Biol., 20, 2013
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4M6J
 | | 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
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4M6K
 | | 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
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4MWI
 | | Crystal structure of the human MLKL pseudokinase domain | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, GLYCEROL, Mixed lineage kinase domain-like protein | | Authors: | Czabotar, P.E, Murphy, J.M. | | Deposit date: | 2013-09-25 | | Release date: | 2013-12-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Insights into the evolution of divergent nucleotide-binding mechanisms among pseudokinases revealed by crystal structures of human and mouse MLKL.
Biochem.J., 457, 2014
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6G5N
 | | Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine | | Descriptor: | (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2018-03-29 | | Release date: | 2018-04-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
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2PCO
 | | Spatial Structure and Membrane Permeabilization for Latarcin-1, a Spider Antimicrobial Peptide | | Descriptor: | Latarcin-1 | | Authors: | Dubovskii, P.V, Volynsky, P.E, Polyansky, A.A, Chupin, V.V, Efremov, R.G, Arseniev, A.S. | | Deposit date: | 2007-03-30 | | Release date: | 2008-03-18 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure/hydrophobicity of latarcins specifies their mode of membrane activity.
Biochemistry, 47, 2008
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6GMC
 | | 1.2 A resolution structure of human hydroxyacid oxidase 1 bound with FMN and 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole | | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate, FLAVIN MONONUCLEOTIDE, ... | | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | Deposit date: | 2018-05-24 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate
To Be Published
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6GMB
 | | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCOLIC ACID, ... | | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-05-24 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate
To Be Published
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2PRT
 | | Structure of the Wilms Tumor Suppressor Protein Zinc Finger Domain Bound to DNA | | Descriptor: | DNA (5'-D(*CP*AP*GP*AP*CP*GP*CP*CP*CP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*GP*GP*GP*CP*GP*TP*CP*TP*G)-3'), Wilms tumor 1, ... | | Authors: | Stoll, R, Lee, B.M, Debler, E.W, Laity, J.H, Wilson, I.A, Dyson, H.J, Wright, P.E. | | Deposit date: | 2007-05-04 | | Release date: | 2008-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure of the Wilms tumor suppressor protein zinc finger domain bound to DNA
J.Mol.Biol., 372, 2007
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6GNZ
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6GO0
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6HT1
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92) | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-~{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 (2.1 Å) | | Cite: | Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6HPW
 | | 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
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6HT0
 | | 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
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6I8L
 | | Crystal structure of Spindlin1 in complex with the inhibitor TD001851a | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ... | | 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: | 2018-11-20 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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6I8B
 | | 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
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2R6X
 | | Structure of a D35N variant PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cobalamin adenosyltransferase PduO-like protein, MAGNESIUM ION | | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2007-09-06 | | Release date: | 2007-12-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural and functional analyses of the human-type corrinoid adenosyltransferase (PduO) from Lactobacillus reuteri.
Biochemistry, 46, 2007
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2R6T
 | | Structure of a R132K variant PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cobalamin adenosyltransferase PduO-like protein, MAGNESIUM ION | | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2007-09-06 | | Release date: | 2007-12-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural and functional analyses of the human-type corrinoid adenosyltransferase (PduO) from Lactobacillus reuteri.
Biochemistry, 46, 2007
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2RLU
 | | The Three Dimensional Structure of the Moorella thermoacetica Selenocysteine Insertion Sequence RNA Hairpin and its Interaction with the Elongation factor SelB | | Descriptor: | RNA (5'-R(*GP*GP*UP*UP*GP*CP*GP*GP*GP*UP*CP*UP*CP*GP*CP*AP*AP*CP*C)-3') | | Authors: | Beribisky, A.V, Tavares, T.J, Amborski, A.N, Motamed, M, Johnson, A.E, Mark, T.L, Johnson, P.E. | | Deposit date: | 2007-08-21 | | Release date: | 2008-02-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The three-dimensional structure of the Moorella thermoacetica selenocysteine insertion sequence RNA hairpin and its interaction with the elongation factor SelB
Rna, 13, 2007
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