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PDB: 431 results

2BB4
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BU of 2bb4 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Asp-Phe at pH 5.0
Descriptor: ASPARTIC ACID, CALCIUM ION, Elastase-1, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-17
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD2
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BU of 2bd2 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0
Descriptor: ARGININE, CALCIUM ION, Elastase-1, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD3
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BU of 2bd3 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ala-NH2 at pH 5.0
Descriptor: ALANINE, CALCIUM ION, Elastase-1, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD7
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BU of 2bd7 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0 (50 min soak)
Descriptor: ARGININE, CALCIUM ION, Elastase-1, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD9
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BU of 2bd9 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0 (50 min soak) and immersed in pH 9 buffer for 28 seconds (2nd pH jump)
Descriptor: CALCIUM ION, Elastase-1, SULFATE ION
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD4
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BU of 2bd4 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ser at pH 5.0
Descriptor: CALCIUM ION, Elastase-1, LYSINE, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD5
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BU of 2bd5 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ser at pH 5 and immersed in pH 9 buffer for 30 seconds
Descriptor: CALCIUM ION, Elastase-1, LYSINE, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD8
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BU of 2bd8 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0 (50 min soak) and immersed in pH 9 buffer for 30 seconds
Descriptor: ARGININE, CALCIUM ION, Elastase-1, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
7WKV
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BU of 7wkv by Molmil
Crystal structure of human ALKBH5 in complex with 2-oxoglutarate (2OG) and m6A-containing ssRNA
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ...
Authors:Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S.
Deposit date:2022-01-11
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
7WL0
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BU of 7wl0 by Molmil
Crystal structure of human ALKBH5 in complex with N-oxalylglycine (NOG) and m6A-containing ssRNA
Descriptor: FORMIC ACID, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
Authors:Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S.
Deposit date:2022-01-12
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
7YBA
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BU of 7yba by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate
Descriptor: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate
To Be Published
7YB9
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BU of 7yb9 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2S)-2-HYDROXYPENTANEDIOIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YBC
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BU of 7ybc by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YBB
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BU of 7ybb by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YB8
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BU of 7yb8 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2R)-2-hydroxypentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
8C8B
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BU of 8c8b by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 48).
Descriptor: 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide, DNA cross-link repair 1A protein, ZINC ION
Authors:Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
Deposit date:2023-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21).
To Be Published
8C8D
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BU of 8c8d by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44).
Descriptor: (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION
Authors:Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
Deposit date:2023-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44).
To Be Published
8C8S
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BU of 8c8s by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21).
Descriptor: (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION
Authors:Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
Deposit date:2023-01-20
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21).
To Be Published
8CF0
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BU of 8cf0 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
Descriptor: 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
Authors:Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
Deposit date:2023-02-02
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
To Be Published
8CEW
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BU of 8cew by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
Descriptor: 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
Authors:Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
Deposit date:2023-02-02
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
To Be Published
8CG9
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BU of 8cg9 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
Descriptor: 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione, DNA cross-link repair 1A protein, ...
Authors:Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
Deposit date:2023-02-03
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
To Be Published
1YCI
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BU of 1yci by Molmil
Factor inhibiting HIF-1 alpha in complex with N-(carboxycarbonyl)-D-phenylalanine
Descriptor: FE (II) ION, Hypoxia-inducible factor 1 alpha inhibitor, N-(CARBOXYCARBONYL)-D-PHENYLALANINE, ...
Authors:McDonough, M.A, Schofield, C.J.
Deposit date:2004-12-22
Release date:2005-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Selective inhibition of factor inhibiting hypoxia-inducible factor
J.Am.Chem.Soc., 127, 2005
5LAS
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BU of 5las by Molmil
HIF prolyl hydroxylase 2 (PHD2-R281C/P317C/R396T) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-3)
Descriptor: Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-14
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LB6
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BU of 5lb6 by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R371H variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LBE
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BU of 5lbe by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) G294E variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
Descriptor: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016

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