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4P7J
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BU of 4p7j by Molmil
Rat apo-COMT sulfate bound
分子名称: Catechol O-methyltransferase, POTASSIUM ION, SULFATE ION
著者Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2014-03-27
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
2F6P
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BU of 2f6p by Molmil
BenM effector binding domain- SeMet derivative
分子名称: ACETATE ION, HTH-type transcriptional regulator benM, SODIUM ION, ...
著者Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C.
登録日2005-11-29
公開日2006-10-31
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator.
J.Mol.Biol., 367, 2007
1UO6
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BU of 1uo6 by Molmil
PORCINE PANCREATIC ELASTASE/Xe-COMPLEX
分子名称: CHLORIDE ION, ELASTASE 1, GLYCEROL, ...
著者Mueller-Dieckmann, C, Polentarutti, M, Djinovic-Carugo, K, Panjikar, S, Tucker, P.A, Weiss, M.S.
登録日2003-09-16
公開日2003-10-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part II. Data-Collection Wavelength and Scaling Models
Acta Crystallogr.,Sect.D, 60, 2004
1SU7
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BU of 1su7 by Molmil
Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans- DTT reduced state
分子名称: Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Dobbek, H, Svetlitchnyi, V, Liss, J, Meyer, O.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
J.Am.Chem.Soc., 126, 2004
1SXN
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BU of 1sxn by Molmil
REDUCED BOVINE SUPEROXIDE DISMUTASE AT PH 5.0
分子名称: CALCIUM ION, COPPER (II) ION, CU, ...
著者Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S.
登録日1997-09-17
公開日1998-03-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site.
J.Biol.Inorg.Chem., 3, 1998
2F78
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BU of 2f78 by Molmil
BenM effector binding domain with its effector benzoate
分子名称: BENZOIC ACID, HTH-type transcriptional regulator benM
著者Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C.
登録日2005-11-30
公開日2006-10-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator.
J.Mol.Biol., 367, 2007
4RFR
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BU of 4rfr by Molmil
Complex structure of AlkB/rhein
分子名称: 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION
著者Li, Q, Huang, Y, Li, J.F, Yang, C.-G.
登録日2014-09-27
公開日2016-04-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rhein Inhibits AlkB Repair Enzymes and Sensitizes Cells to Methylated DNA Damage.
J.Biol.Chem., 291, 2016
1SU6
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BU of 1su6 by Molmil
Carbon monoxide dehydrogenase from Carboxydothermus hydrogenoformans: CO reduced state
分子名称: Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Dobbek, H, Svetlitchnyi, V, Liss, J, Meyer, O.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
J.Am.Chem.Soc., 126, 2004
1SU8
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BU of 1su8 by Molmil
Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
分子名称: Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Dobbek, H, Svetlitchnyi, V, Liss, J, Meyer, O.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
J.Am.Chem.Soc., 126, 2004
1SXS
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BU of 1sxs by Molmil
Reduced bovine superoxide dismutase at pH 5.0 complexed with thiocyanate
分子名称: CALCIUM ION, COPPER (II) ION, PROTEIN (CU-ZN SUPEROXIDE DISMUTASE), ...
著者Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Mangani, S.
登録日1998-09-24
公開日1998-09-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site
J.Biol.Inorg.Chem., 3, 1998
1SUF
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BU of 1suf by Molmil
Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans-Inactive state
分子名称: Carbon Monoxide Dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Dobbek, H, Svetlitchnyi, V, Liss, J, Meyer, O.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
J.Am.Chem.Soc., 126, 2004
4PYQ
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BU of 4pyq by Molmil
Humanized rat apo-COMT in complex with a ureido-benzamidine
分子名称: 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide, ACETATE ION, CHLORIDE ION, ...
著者Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2014-03-27
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYJ
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BU of 4pyj by Molmil
human apo-COMT, single domain swap
分子名称: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2014-03-27
公開日2014-06-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYO
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BU of 4pyo by Molmil
Humanized rat COMT bound to SAH, semi-holo form
分子名称: Catechol O-methyltransferase, MAGNESIUM ION, POTASSIUM ION, ...
著者Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2014-03-27
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
3NEW
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BU of 3new by Molmil
p38-alpha complexed with Compound 10
分子名称: 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14
著者Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D.
登録日2010-06-09
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
4E1A
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BU of 4e1a by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis at 1.62A resolution
分子名称: GLYCEROL, Phosphopantetheine adenylyltransferase
著者Timofeev, V.I, Smirnova, E.A, Chupova, L.A, Esipov, R.S, Kuranova, I.P.
登録日2012-03-06
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献X-ray study of the conformational changes in the molecule of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis during the catalyzed reaction.
Acta Crystallogr.,Sect.D, 68, 2012
2F7A
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BU of 2f7a by Molmil
BenM effector binding domain with its effector, cis,cis-muconate
分子名称: (2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID, ACETATE ION, BENZOIC ACID, ...
著者Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C.
登録日2005-11-30
公開日2006-10-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator.
J.Mol.Biol., 367, 2007
4TZX
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BU of 4tzx by Molmil
Vibrio Vulnificus Adenine Riboswitch variant, grown in Mg2+
分子名称: ADENINE, MAGNESIUM ION, Vibrio vulnificus Adenine Riboswitch
著者Zhang, J, Ferre-D'Amare, A.R.
登録日2014-07-11
公開日2014-09-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Dramatic Improvement of Crystals of Large RNAs by Cation Replacement and Dehydration.
Structure, 22, 2014
1SXZ
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BU of 1sxz by Molmil
Reduced bovine superoxide dismutase at pH 5.0 complexed with azide
分子名称: AZIDE ION, CALCIUM ION, COPPER (II) ION, ...
著者Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S.
登録日1998-09-22
公開日1998-09-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site
J.Biol.Inorg.Chem., 3, 1998
4TZW
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BU of 4tzw by Molmil
Co-crystals of the Ternary Complex Containing a T-box Stem I RNA, its Cognate tRNAGly, and B. subtilis YbxF protein, treated by removing lithium sulfate and replacing Mg2+ with Sr2+ post crystallization
分子名称: Ribosome-associated protein L7Ae-like, STRONTIUM ION, T-box Stem I, ...
著者Zhang, J, Ferre-D'Amare, A.R.
登録日2014-07-11
公開日2014-09-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (4.671 Å)
主引用文献Dramatic Improvement of Crystals of Large RNAs by Cation Replacement and Dehydration.
Structure, 22, 2014
7ODC
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BU of 7odc by Molmil
CRYSTAL STRUCTURE ORNITHINE DECARBOXYLASE FROM MOUSE, TRUNCATED 37 RESIDUES FROM THE C-TERMINUS, TO 1.6 ANGSTROM RESOLUTION
分子名称: PROTEIN (ORNITHINE DECARBOXYLASE), PYRIDOXAL-5'-PHOSPHATE
著者Kern, A.D, Oliveira, M.A, Coffino, P, Hackert, M.L.
登録日1999-03-03
公開日1999-10-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of mammalian ornithine decarboxylase at 1.6 A resolution: stereochemical implications of PLP-dependent amino acid decarboxylases.
Structure Fold.Des., 7, 1999
7O2I
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BU of 7o2i by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457
分子名称: DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ...
著者Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O.
登録日2021-03-30
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia.
Nature, 593, 2021
6Q7U
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BU of 6q7u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with HHQ
分子名称: 2-heptyl-1~{H}-quinolin-4-one, Transcriptional regulator MvfR
著者Witzgall, F, Xu, N, Blankenfeldt, W.
登録日2018-12-13
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6Y83
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BU of 6y83 by Molmil
Capsid structure of Leishmania RNA virus 1
分子名称: Capsid protein
著者Prochazkova, M, Fuzik, T, Grybtchuk, D, Falginella, F, Podesvova, L, Yurchenko, V, Vacha, R, Plevka, P.
登録日2020-03-03
公開日2020-11-11
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Capsid Structure of Leishmania RNA Virus 1.
J.Virol., 95, 2021
6Q6L
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Crystal structure of recombinant human beta-glucocerebrosidase in complex with adamantyl-cyclophellitol inhibitor (ME656)
分子名称: (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Davies, G.J.
登録日2018-12-11
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019

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