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6DZ4
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CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM TRYPTOPHAN SYNTHASE WITH SODIUM ION AT THE METAL COORDINATION SITE AND [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE (PLS) AT THE BETA-SITE.
Descriptor:Tryptophan synthase alpha chain, Tryptophan synthase beta chain, CHLORIDE ION, ...
Authors:Hilario, E., Dunn, M.F., Mueller, L.J., Fan, L.
Deposit date:2018-07-02
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site and [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine (PLS) at the beta-site.
To be Published
6DZG
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CRYSTAL STRUCTURE OF POLYPHOSPHATE KINASE 2 CLASS I (SMC02148) IN COMPLEX WITH ADP
Descriptor:Polyphosphate:ADP phosphotransferase 1, ADENOSINE-5'-DIPHOSPHATE, D-MALATE, ...
Authors:Nocek, B., Joachimiak, A., Ruszkowski, M., Midwest Center for Structural Genomics (MCSG)
Deposit date:2018-07-03
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural insights into substrate selectivity and activity of bacterial polyphosphate kinases
To Be Published
6DZH
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HRAS G13D BOUND TO GDP (H13GDP)
Descriptor:GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Johnson, C.W., Mattos, C.
Deposit date:2018-07-04
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular mechanism of KRAS G13D intrinsic activation linked to proliferative phenotype in the mouse colon
To Be Published
6DZO
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CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM TRYPTOPHAN SYNTHASE MUTANT BETA-Q114A WITH 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE (F9F) AT THE ALPHA-SITE, CESIUM ION AT THE METAL COORDINATION SITE, AND [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE (PLS) AT THE BETA-SITE.
Descriptor:Tryptophan synthase alpha chain, Tryptophan synthase beta chain, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E., Dunn, M.F., Mueller, L.J., Fan, L.
Deposit date:2018-07-05
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine (PLS) at the beta-site.
To be Published
6DZR
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CRYSTAL STRUCTURE OF H38C2 K99R MUTATION
Descriptor:h38c2 heavy chain, h38c2 light chain, CITRATE ANION, ...
Authors:Park, H., Rader, C.
Deposit date:2018-07-05
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Site-Selective Antibody Functionalization via Orthogonally Reactive Arginine and Lysine Residues.
Cell Chem Biol, 2019
6DZX
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CRYSTAL STRUCTURE OF THE N. MENINGITIDES METHIONINE-BINDING PROTEIN IN ITS D-METHIONINE BOUND CONFORMATION.
Descriptor:Lipoprotein, D-METHIONINE
Authors:Nguyen, P.T., Lai, J.Y., Kaiser, J.T., Rees, D.C.
Deposit date:2018-07-05
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.678 Å)
Cite:Structural basis for substrate stereo-specificity of the Neisseria meningitides methionine-binding protein MetQ
To Be Published
6E0E
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CRYSTAL STRUCTURE OF GLUCOKINASE IN COMPLEX WITH COMPOUND 6
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile
Authors:Hinklin, R.J., Baer, B.R., Boyd, S.A., Chicarelli, M.D., Condroski, K.R., DeWolf, W.E., Fischer, J., Frank, M., Hingorani, G.P., Lee, P.A., Neitzel, N.A., Pratt, S.A., Singh, A., Sullivan, F.X., Turner, T., Voegtli, W.C., Wallace, E.M., Williams, L., Aicher, T.D.
Deposit date:2018-07-06
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Glucokinase in complex with compound 6
To Be Published
6E0I
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CRYSTAL STRUCTURE OF GLUCOKINASE IN COMPLEX WITH COMPOUND 72
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, DIMETHYL SULFOXIDE, ...
Authors:Hinklin, R.J., Baer, B.R., Boyd, S.A., Chicarelli, M.D., Condroski, K.R., DeWolf, W.E., Fischer, J., Frank, M., Hingorani, G.P., Lee, P.A., Neitzel, N.A., Pratt, S.A., Singh, A., Sullivan, F.X., Turner, T., Voegtli, W.C., Wallace, E.M., Williams, L., Aicher, T.D.
Deposit date:2018-07-06
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Glucokinase in complex with compound 6
To Be Published
6E0U
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STAPHYLOCOCCUS PSEUDINTERMEDIUS EXFOLIATIVE TOXIN EXI
Descriptor:Serine protease
Authors:Boone, C.D., Laganowsky, A.
Deposit date:2018-07-06
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of the Exfoliative toxin Exi from Staphylococcus pseudintermedius
To be Published
6E1A
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MENIN BOUND TO M-89
Descriptor:Menin, (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, praseodymium triacetate
Authors:Stuckey, J.A.
Deposit date:2018-07-09
Release date:2019-07-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 2019
6E1F
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CRYSTAL STRUCTURE OF THE SWIRM DOMAIN OF HUMAN HISTONE LYSINE-SPECIFIC DEMETHYLASE LSD1
Descriptor:Lysine-specific histone demethylase 1A, SULFATE ION
Authors:Luka, Z., Pakhomova, S., Reiter, N.J.
Deposit date:2018-07-09
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Transient and highly ordered structural domains exist within the N-terminus of LSD1 and differentially interact with mononucleosomes
To be Published
6E1X
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CRYSTAL STRUCTURE OF PRODUCT-BOUND COMPLEX OF SPERMIDINE/SPERMINE N-ACETYLTRANSFERASE SPEG
Descriptor:Spermidine N(1)-acetyltransferase, SPERMINE, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, ...
Authors:Filippova, E.V., Minasov, G., Kiryukhina, O., Anderson, W.F., Satchell, K.J.F., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-07-10
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of product-bound complex of spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae.
To Be Published
6E6A
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TRICLINIC CRYSTAL FORM OF INCA G144A POINT MUTANT
Descriptor:Inclusion membrane protein A, SODIUM ION
Authors:Cingolani, G., Paumet, F.
Deposit date:2018-07-24
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for the homotypic fusion of chlamydial inclusions by the SNARE-like protein IncA.
Nat Commun, 10, 2019
6E7E
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HIGH RESOLUTION CRYSTAL STRUCTURE OF INCA SOLUBLE DOMAIN
Descriptor:Inclusion membrane protein A
Authors:Cingolani, G., Paumet, F.
Deposit date:2018-07-26
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structural basis for the homotypic fusion of chlamydial inclusions by the SNARE-like protein IncA.
Nat Commun, 10, 2019
6FM4
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THE CRYSTAL STRUCTURE OF S. AUREUS GYRASE COMPLEX WITH ID-130 AND DNA
Descriptor:DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A, DNA (5'-5UA*D(P*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA (5'-5UA*D(P*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*C)-3'), ...
Authors:Ombrato, R., Garofalo, B., Mangano, G., Mancini, F.
Deposit date:2018-01-30
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Virtual Screening Approach and Structure Activity Relationships to discover NBTI Inhibitors Targeting Gram -Positive and -Negative Pathogens
To Be Published
6FXJ
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STRUCTURE OF COPROHEME DECARBOXYLASE FROM LISTERIA MONOCYTOGENES IN COMPLEX WITH IRON COPROPORPHYRIN III
Descriptor:Putative heme-dependent peroxidase lmo2113, SODIUM ION, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, ...
Authors:Hofbauer, S., Pfanzagl, V., Mlynek, G.
Deposit date:2018-03-09
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:REDOX COFACTOR ROTATES DURING ITS STEPWISE DECARBOXYLATION - MOLECULAR MECHANISM OF CONVERSION OF COPROHEME TO HEME B
Acs Catalysis, 2019
6FXQ
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STRUCTURE OF COPROHEME DECARBOXYLASE FROM LISTERIA MONOCYTOGENES DURING TURNOVER
Descriptor:Putative heme-dependent peroxidase lmo2113, SODIUM ION, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, ...
Authors:Hofbauer, S., Pfanzagl, V., Mlynek, G., Puehringer, D.
Deposit date:2018-03-09
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:REDOX COFACTOR ROTATES DURING ITS STEPWISE DECARBOXYLATION - MOLECULAR MECHANISM OF CONVERSION OF COPROHEME TO HEME B
Acs Catalysis, 2019
6GVW
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CRYSTAL STRUCTURE OF THE BRCA1-A COMPLEX
Descriptor:BRCA1-A complex subunit Abraxas 1, Lys-63-specific deubiquitinase BRCC36, BRISC and BRCA1-A complex member 2, ...
Authors:Bunker, R.D., Rabl, J., Thoma, N.H.
Deposit date:2018-06-21
Release date:2019-07-10
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Structural Basis of BRCC36 Function in DNA Repair and Immune Regulation.
Mol.Cell, 2019
6GWX
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STABILISING AND UNDERSTANDING A MINIPROTEIN BY RATIONAL DESIGN.
Descriptor:Optimised PPa-TYR
Authors:Porter Goff, K.L., Williams, C., Baker, E.G., Nicol, D., Samphire, J.L., Zieleniewski, F.L., Crump, M.P., Woolfson, D.N.
Deposit date:2018-06-26
Release date:2019-07-10
Method:SOLUTION NMR
Cite:Stabilizing and Understanding a Miniprotein by Rational Redesign.
Biochemistry, 2019
6GWY
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BLOOD GROUP SYNTHASE AAGLYB IN ITS APO FORM CRYOPROTECTED WITH GLYCEROL
Descriptor:ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase transferase B, alpha 1-3-galactosyltransferase), ...
Authors:Rocha, J., Royant, A.
Deposit date:2018-06-26
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Blood group synthase AAGlyB in its apo form cryoprotected with glycerol
To be published
6GWZ
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BLOOD GROUP SYNTHASE AAGLYB IN ITS APO FORM CRYOPROTECTED WITH PEG 3350
Descriptor:ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase transferase B, alpha 1-3-galactosyltransferase), ...
Authors:Rocha, J., Royant, A.
Deposit date:2018-06-26
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Blood group synthase AAGlyB in its apo form cryoprotected with PEG 3350
To be published
6GX0
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BLOOD GROUP SYNTHASE AAGLYB IN COMPLEX WITH UDP-GAL AND CRYOPROTECTED WITH PEG 3350
Descriptor:ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase transferase B, alpha 1-3-galactosyltransferase), ...
Authors:Rocha, J., Royant, A.
Deposit date:2018-06-26
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Blood group synthase AAGlyB in complex with UDP-Gal and cryoprotected with PEG 3350
To be published
6GX1
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BLOOD GROUP SYNTHASE AAGLYB IN COMPLEX WITH UDP-GALNAC AND CRYOPROTECTED WITH PEG 3350
Descriptor:ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase transferase B, alpha 1-3-galactosyltransferase), ...
Authors:Rocha, J., Royant, A.
Deposit date:2018-06-26
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Blood group synthase AAGlyB in complex with UDP-GalNAc and cryoprotected with PEG 3350
To be published
6GX2
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BLOOD GROUP SYNTHASE AAGLYB IN COMPLEX WITH UDP-GALNAC AND CRYOPROTECTED WITH GLYCEROL
Descriptor:ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase transferase B, alpha 1-3-galactosyltransferase), ...
Authors:Rocha, J., Royant, A.
Deposit date:2018-06-26
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Blood group synthase AAGlyB in complex with UDP-GalNAc and cryoprotected with glycerol
To be published
6GXQ
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CRYSTAL STRUCTURE OF T. BRUCEI PDE-B1 CATALYTIC DOMAIN WITH INHIBITOR NPD-1335
Descriptor:Phosphodiesterase, MAGNESIUM ION, ZINC ION, ...
Authors:Singh, A.K., Brown, D.G.
Deposit date:2018-06-27
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335
To be published