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2Y2G
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BU of 2y2g by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (A01)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
2Y2N
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BU of 2y2n by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E07)
Descriptor: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
2Y2Q
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BU of 2y2q by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (Z06)
Descriptor: (3-acetamido-5-carboxy-phenyl)-trihydroxy-boron, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
2Y2M
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BU of 2y2m by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E08)
Descriptor: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
2Y2H
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BU of 2y2h by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA2)
Descriptor: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
2Y2J
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BU of 2y2j by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA4)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol, 6, 2011
2Y2O
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BU of 2y2o by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (EO9)
Descriptor: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
2Y2I
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BU of 2y2i by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA3)
Descriptor: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
2Y2P
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BU of 2y2p by Molmil
Penicillin-binding protein 1b (pbp-1b) in complex with an alkyl boronate (z10)
Descriptor: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
2Y2L
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BU of 2y2l by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E06)
Descriptor: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
4CXX
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BU of 4cxx by Molmil
Crystal structure of human FTO in complex with acylhydrazine inhibitor 16
Descriptor: (2E)-4-{N'-[4-(4-tert-Butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
Authors:Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
Deposit date:2014-04-09
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4CXY
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BU of 4cxy by Molmil
Crystal structure of human FTO in complex with acylhydrazine inhibitor 21
Descriptor: (E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
Authors:Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
Deposit date:2014-04-09
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4CXW
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BU of 4cxw by Molmil
Crystal structure of human FTO in complex with subfamily-selective inhibitor 12
Descriptor: (2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
Authors:Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
Deposit date:2014-04-09
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
3U4S
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BU of 3u4s by Molmil
Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine
Descriptor: HISTONE 3 TAIL ANALOG (T11C Peptide), Lysine-specific demethylase 4A, N-(carboxycarbonyl)-D-cysteine, ...
Authors:Ma, J, McDonough, M.A, Schofield, C.J.
Deposit date:2011-10-10
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.
Angew.Chem.Int.Ed.Engl., 51, 2012
3T4H
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BU of 3t4h by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ...
Authors:Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2011-07-26
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T3Y
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BU of 3t3y by Molmil
Crystal structure of AlkB in complex with Fe(III) and 2-(3-hydroxypicolinomido)acetic acid
Descriptor: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine
Authors:Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2011-07-25
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T4V
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BU of 3t4v by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine
Descriptor: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ...
Authors:Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2011-07-26
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.732 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
2XLN
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BU of 2xln by Molmil
Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitor
Descriptor: COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE,, SULFATE ION, ...
Authors:Sauvage, E, Herman, R, Kerff, F, Rocaboy, M, Charlier, P.
Deposit date:2010-07-21
Release date:2011-01-26
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure Guided Development of Potent Reversibly Binding Penicillin Binding Protein Inhibitors
Acs Med.Chem.Lett., 2, 2011
2XK1
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BU of 2xk1 by Molmil
Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitor
Descriptor: COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, SULFATE ION, ...
Authors:Sauvage, E, Herman, R, Kerff, F, Rocaboy, M, Charlier, P.
Deposit date:2010-07-07
Release date:2011-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure Guided Development of Potent Reversibly Binding Penicillin Binding Protein Inhibitors
Acs Med.Chem.Lett., 2, 2011
6YVT
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BU of 6yvt by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253
Descriptor: 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ...
Authors:Chowdhury, R, Demetriades, M, Schofield, C.J.
Deposit date:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.847 Å)
Cite:Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors.
Angew.Chem.Int.Ed.Engl., 51, 2012
2WWJ
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BU of 2wwj by Molmil
STRUCTURE OF JMJD2A COMPLEXED WITH INHIBITOR 10A
Descriptor: LYSINE-SPECIFIC DEMETHYLASE 4A, NICKEL (II) ION, O-benzyl-N-(carboxycarbonyl)-D-tyrosine, ...
Authors:Rose, N.R, Clifton, I.J, Oppermann, U, McDonough, M.A, Schofield, C.J.
Deposit date:2009-10-23
Release date:2010-03-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Selective inhibitors of the JMJD2 histone demethylases: combined nondenaturing mass spectrometric screening and crystallographic approaches.
J. Med. Chem., 53, 2010
3PDQ
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BU of 3pdq by Molmil
Crystal structure of JMJD2A complexed with bipyridyl inhibitor
Descriptor: 4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ...
Authors:King, O.N.F, Chang, K.-H, Rose, N.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2010-10-23
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:Inhibition of histone demethylases by 4-carboxy-2,2'-bipyridyl compounds
Chemmedchem, 6, 2011
2Y2K
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BU of 2y2k by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA5)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ...
Authors:Contreras-Martel, C, Amoroso, A, Woon, E, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C, Dessen, A.
Deposit date:2010-12-15
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol, 6, 2011
4AI9
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BU of 4ai9 by Molmil
JMJD2A Complexed with Daminozide
Descriptor: CHLORIDE ION, DAMINOZIDE, GLYCEROL, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
4AI8
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BU of 4ai8 by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE
Descriptor: DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
Authors:King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012

 

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