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4WYF
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BU of 4wyf by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a DSF fragment hit
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, N-(1-oxo-1H-inden-5-yl)acetamide, PYRIDOXAL-5'-PHOSPHATE
Authors:Barry, C.F, Dai, R.
Deposit date:2014-11-17
Release date:2015-07-08
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4WLM
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BU of 4wlm by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese
Descriptor: MANGANESE (II) ION, SULFATE ION, Xyloside xylosyltransferase 1
Authors:Yu, H, Li, H.
Deposit date:2014-10-07
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
4WLG
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BU of 4wlg by Molmil
crystal structure of mouse Xyloside xylosyltransferase 1, apo form
Descriptor: SULFATE ION, Xyloside xylosyltransferase 1
Authors:Yu, H, Li, H.
Deposit date:2014-10-07
Release date:2015-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
4WMR
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BU of 4wmr by Molmil
STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A
Descriptor: 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, PYROPHOSPHATE 2-, ...
Authors:CLIFTON, M.C, EDWARDS, T.E.
Deposit date:2014-10-09
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WMX
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BU of 4wmx by Molmil
The structure of MBP-MCL1 bound to ligand 6 at 2.0A
Descriptor: 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid, FORMIC ACID, MAGNESIUM ION, ...
Authors:Clifton, M.C, Dranow, D.M.
Deposit date:2014-10-09
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WMV
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BU of 4wmv by Molmil
STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A
Descriptor: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Clifton, M.C, Moulin, A.
Deposit date:2014-10-09
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WQN
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BU of 4wqn by Molmil
Crystal structure of N6-methyladenosine RNA reader YTHDF2
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, YTH domain-containing family protein 2
Authors:Zhu, T, Roundtree, I.A, Wang, P, Wang, X, Wang, L, Sun, C, Tian, Y, Li, J, He, C, Xu, Y.
Deposit date:2014-10-22
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.121 Å)
Cite:Crystal structure of the YTH domain of YTHDF2 reveals mechanism for recognition of N6-methyladenosine.
Cell Res., 24, 2014
4WRH
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BU of 4wrh by Molmil
AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide
Descriptor: 1,2-ETHANEDIOL, 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide, 5-methyl-4H-1,2,4-triazole-3-thiol, ...
Authors:Squire, C.J, Flanagan, J.U, Yosaatmadja, Y.
Deposit date:2014-10-24
Release date:2014-11-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide trapped in active site of AKR1C3
To Be Published
4WX1
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BU of 4wx1 by Molmil
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A determined from a crystal soaked with UDP-Galactopyranose
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
Authors:Qureshi, I.A, Chaudhary, R.
Deposit date:2014-11-13
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
4WYG
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BU of 4wyg by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a fragment hit
Descriptor: 1,2-ETHANEDIOL, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Dai, R, Finzel, B.C.
Deposit date:2014-11-17
Release date:2015-07-08
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4WZ6
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BU of 4wz6 by Molmil
Human CFTR aa389-678 (NBD1), deltaF508 with three solubilizing mutations, bound ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Byrnes, L.J, Hall, J.
Deposit date:2014-11-18
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Binding screen for cystic fibrosis transmembrane conductance regulator correctors finds new chemical matter and yields insights into cystic fibrosis therapeutic strategy.
Protein Sci., 25, 2016
4X0L
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BU of 4x0l by Molmil
Human haptoglobin-haemoglobin complex
Descriptor: CACODYLATE ION, GLYCEROL, Haptoglobin, ...
Authors:Lane-Serff, H, MacGregor, P, Lowe, E.D, Carrington, M, Higgins, M.K.
Deposit date:2014-11-21
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for ligand and innate immunity factor uptake by the trypanosome haptoglobin-haemoglobin receptor.
Elife, 3, 2014
4WLZ
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BU of 4wlz by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese and UDP
Descriptor: MANGANESE (II) ION, SULFATE ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Yu, H, Li, H.
Deposit date:2014-10-08
Release date:2015-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
4WMW
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BU of 4wmw by Molmil
The structure of MBP-MCL1 bound to ligand 5 at 1.9A
Descriptor: 1,2-ETHANEDIOL, 2-hydroxy-5-(methylsulfanyl)benzoic acid, FORMIC ACID, ...
Authors:Clifton, M.C, Dranow, D.M.
Deposit date:2014-10-09
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WT8
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BU of 4wt8 by Molmil
Crystal Structure of bactobolin A bound to 70S ribosome-tRNA complex
Descriptor: 23S rRNA (2899-MER), 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Amunts, A, Fiedorczuk, K, Ramakrishnan, V.
Deposit date:2014-10-29
Release date:2015-01-21
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Bactobolin A Binds to a Site on the 70S Ribosome Distinct from Previously Seen Antibiotics.
J.Mol.Biol., 427, 2015
4WZ9
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BU of 4wz9 by Molmil
APN1 from Anopheles gambiae
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, AGAP004809-PA, ALA-ALA-ALA-LYS-ALA, ...
Authors:Atkinson, S.C, Armistead, J.S, Mathias, D.K, Sandeu, M.M, Tao, D, Borhani-Dizaji, N, Morlais, I, Dinglasan, R.R, Borg, N.A.
Deposit date:2014-11-19
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Anopheles-midgut APN1 structure reveals a new malaria transmission-blocking vaccine epitope.
Nat.Struct.Mol.Biol., 22, 2015
4YOO
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BU of 4yoo by Molmil
p107 pocket domain in complex with LIN52 P29A peptide
Descriptor: LIN52 peptide, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, SULFATE ION
Authors:Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M.
Deposit date:2015-03-12
Release date:2015-05-13
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanisms of DREAM complex assembly and regulation.
Genes Dev., 29, 2015
4YJ5
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BU of 4yj5 by Molmil
Crystal structure of PKM2 mutant
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVIC ACID, ...
Authors:Liu, J.-S, Wu, C.-W, Wang, W.-C.
Deposit date:2015-03-03
Release date:2016-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Mutations in the PKM2 exon-10 region are associated with reduced allostery and increased nuclear translocation
Commun Biol, 2, 2019
4YPG
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BU of 4ypg by Molmil
Structural Insights Into the Neutralization Properties of a Human Anti-Interferon Monoclonal Antibody
Descriptor: Interferon alpha-2, NICKEL (II) ION, Sifalimumab heavy chain, ...
Authors:Oganesyan, V, Dall'Acqua, W.F.
Deposit date:2015-03-12
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights into the Neutralization Properties of the Fully Human, Anti-interferon Monoclonal Antibody Sifalimumab.
J.Biol.Chem., 290, 2015
4YM1
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BU of 4ym1 by Molmil
Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with 2'-fucosyllactose
Descriptor: Galectin-4, SULFATE ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2015-03-06
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens.
Febs J., 282, 2015
4YOQ
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BU of 4yoq by Molmil
Crystal Structure of MutY bound to its anti-substrate
Descriptor: A/G-specific adenine glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), DNA (5'-D(*T*GP*TP*CP*CP*AP*CP*GP*TP*CP*T)-3'), ...
Authors:Wang, L, Lee, S, Verdine, G.L.
Deposit date:2015-03-11
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Basis for Avoidance of Promutagenic DNA Repair by MutY Adenine DNA Glycosylase.
J.Biol.Chem., 290, 2015
4YB9
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BU of 4yb9 by Molmil
Crystal structure of the Bovine Fructose transporter GLUT5 in an open inward-facing conformation
Descriptor: Solute carrier family 2, facilitated glucose transporter member 5
Authors:Verdon, G, Kang, H.J, Iwata, S, Drew, D.
Deposit date:2015-02-18
Release date:2015-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and mechanism of the mammalian fructose transporter GLUT5.
Nature, 526, 2015
4YBQ
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BU of 4ybq by Molmil
Rat GLUT5 with Fv in the outward-open form
Descriptor: Solute carrier family 2, facilitated glucose transporter member 5, antibody Fv fragment heavy chain, ...
Authors:Nomura, N, Shimamura, T, Iwata, S.
Deposit date:2015-02-19
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Structure and mechanism of the mammalian fructose transporter GLUT5
Nature, 526, 2015
4YEU
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BU of 4yeu by Molmil
ELIC-GLIC chimera in the resting conformation
Descriptor: Cys-loop ligand-gated ion channel,Proton-gated ion channel
Authors:Schmandt, N, Vivien, Y, Lodowski, D, Chakrapani, S.
Deposit date:2015-02-24
Release date:2015-09-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:An ELIC-GLIC Chimera Reveals Distinct Pathways of Activation in the Cys-loop receptors
To Be Published
4YPH
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BU of 4yph by Molmil
Crystal Structure of MutY bound to its anti-substrate with the disulfide cross-linker reduced
Descriptor: A/G-specific adenine glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), DNA (5'-D(TP*GP*TP*CP*CP*AP*CP*GP*TP*CP*T)-3'), ...
Authors:Wang, L, Lee, S, Verdine, G.L.
Deposit date:2015-03-12
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Basis for Avoidance of Promutagenic DNA Repair by MutY Adenine DNA Glycosylase.
J.Biol.Chem., 290, 2015

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PDB entries from 2024-09-04

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