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2AIA
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BU of 2aia by Molmil
S.pneumoniae PDF complexed with SB-543668
Descriptor: 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE, NICKEL (II) ION, Peptide deformylase, ...
Authors:Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
2AI9
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BU of 2ai9 by Molmil
S.aureus Polypeptide Deformylase
Descriptor: NICKEL (II) ION, Peptide deformylase, SULFATE ION
Authors:Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
2AIE
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BU of 2aie by Molmil
S.pneumoniae polypeptide deformylase complexed with SB-505684
Descriptor: HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE, NICKEL (II) ION, Peptide deformylase, ...
Authors:Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species
Protein Sci., 12, 2003
2AI7
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BU of 2ai7 by Molmil
S.pneumoniae Polypeptide Deformylase complexed with SB-485345
Descriptor: NICKEL (II) ION, Peptide deformylase, SULFATE ION, ...
Authors:Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species
Protein Sci., 12, 2003
2AI8
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BU of 2ai8 by Molmil
E.coli Polypeptide Deformylase complexed with SB-485343
Descriptor: NICKEL (II) ION, Peptide deformylase, [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL
Authors:Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B.
Deposit date:2005-07-29
Release date:2005-09-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
2BY4
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BU of 2by4 by Molmil
SR Ca(2+)-ATPase in the HnE2 state complexed with the thapsigargin derivative Boc-12ADT.
Descriptor: (3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL 12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Jensen, A.L, Moller, J.V, Soehoel, H, Denmeade, S.R, Isaacs, J.T, Olsen, C.E, Christensen, S.B, Nissen, P.
Deposit date:2005-07-28
Release date:2006-04-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Natural Products as Starting Materials for Development of Second-Generation Serca Inhibitors Targeted Towards Prostate Cancer Cells
Bioorg.Med.Chem., 14, 2006
4J2T
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BU of 4j2t by Molmil
Inhibitor-bound Ca2+ ATPase
Descriptor: (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate, PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, ...
Authors:Paulsen, E.S, Villadsen, J, Tenori, E, Liu, H, Lie, M.A, Bonde, D.F, Bublitz, M, Olesen, C, Autzen, H.E, Dach, I, Sehgal, P, Moller, J.V, Schiott, B, Nissen, P, Christensen, S.B.
Deposit date:2013-02-05
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.
J.Med.Chem., 56, 2013
7Z12
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BU of 7z12 by Molmil
VAR2 complex with PAM1.4
Descriptor: PAM1.4, Heavy Chain, light Chain, ...
Authors:Raghavan, S.S.R, Wang, K.T.
Deposit date:2022-02-24
Release date:2022-11-02
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM reveals the conformational epitope of human monoclonal antibody PAM1.4 broadly reacting with polymorphic malarial protein VAR2CSA.
Plos Pathog., 18, 2022
7Z1H
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BU of 7z1h by Molmil
VAR2CSA APO
Descriptor: VAR2CSA APO
Authors:Raghavan, S.S.R, Wang, K.T.
Deposit date:2022-02-24
Release date:2022-11-02
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM reveals the conformational epitope of human monoclonal antibody PAM1.4 broadly reacting with polymorphic malarial protein VAR2CSA.
Plos Pathog., 18, 2022
6NPE
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BU of 6npe by Molmil
C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide
Descriptor: 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ...
Authors:campobasso, N.
Deposit date:2019-01-17
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPV
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BU of 6npv by Molmil
C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
3NAN
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BU of 3nan by Molmil
SR Ca(2+)-ATPase in the HnE2 state complexed with a Thapsigargin derivative Boc-(phi)Tg
Descriptor: (3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ...
Authors:Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P.
Deposit date:2010-06-02
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
3NAL
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BU of 3nal by Molmil
SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative DTB
Descriptor: (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P.
Deposit date:2010-06-02
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
3NAM
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BU of 3nam by Molmil
SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative dOTg
Descriptor: (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ...
Authors:Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P.
Deposit date:2010-06-02
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
3SW8
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BU of 3sw8 by Molmil
Strep Peptide Deformylase with a time dependent dichlorobenzamide-reverse hydroxamic acid
Descriptor: 2,3-dichloro-N-{2-[formyl(hydroxy)amino]ethyl}benzamide, NICKEL (II) ION, Peptide deformylase 3, ...
Authors:Campobasso, N, Smith, K.J.
Deposit date:2011-07-13
Release date:2011-07-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
1IWO
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BU of 1iwo by Molmil
Crystal structure of the SR Ca2+-ATPase in the absence of Ca2+
Descriptor: OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ...
Authors:Toyoshima, C, Nomura, H.
Deposit date:2002-05-26
Release date:2002-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural changes in the calcium pump accompanying the dissociation of calcium
Nature, 418, 2002

217705

PDB entries from 2024-03-27

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