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2JIH
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BU of 2jih by Molmil
Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (complex-form)
分子名称: (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAMTS-1, CADMIUM ION, ...
著者Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M.
登録日2007-06-28
公開日2008-01-15
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of human ADAMTS-1 reveal a conserved catalytic domain and a disintegrin-like domain with a fold homologous to cysteine-rich domains.
J. Mol. Biol., 373, 2007
2VXS
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BU of 2vxs by Molmil
Structure of IL-17A in complex with a potent, fully human neutralising antibody
分子名称: FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION
著者Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M.
登録日2008-07-09
公開日2009-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody.
J.Mol.Biol., 394, 2009
1KZ6
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BU of 1kz6 by Molmil
Mutant enzyme W63Y/L119F Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KYY
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BU of 1kyy by Molmil
Lumazine Synthase from S.pombe bound to nitropyrimidinedione
分子名称: 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZ1
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BU of 1kz1 by Molmil
Mutant enzyme W27G Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZ9
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BU of 1kz9 by Molmil
Mutant Enzyme L119F Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KYX
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BU of 1kyx by Molmil
Lumazine Synthase from S.pombe bound to carboxyethyllumazine
分子名称: 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZ4
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BU of 1kz4 by Molmil
Mutant enzyme W63Y Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KYV
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BU of 1kyv by Molmil
Lumazine Synthase from S.pombe bound to riboflavin
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION, RIBOFLAVIN
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZL
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BU of 1kzl by Molmil
Riboflavin Synthase from S.pombe bound to Carboxyethyllumazine
分子名称: 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, MERCURY (II) ION, Riboflavin Synthase
著者Gerhardt, S, Schott, A.K, Kairies, N, Cushman, M, Illarionov, B, Eisenreich, W, Bacher, A, Huber, R, Steinbacher, S, Fischer, M.
登録日2002-02-07
公開日2002-11-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Studies on the Reaction Mechanism of Riboflavin Synthase; X-Ray Crystal Structure of a Complex with 6-Carboxyethyl-7-Oxo-8-Ribityllumazine
STRUCTURE, 10, 2002
1ITZ
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BU of 1itz by Molmil
Maize Transketolase in complex with TPP
分子名称: MAGNESIUM ION, THIAMINE DIPHOSPHATE, Transketolase
著者Gerhardt, S, Echt, S, Bader, G, Freigang, J, Busch, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-15
公開日2003-02-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and properties of an engineered transketolase from maize
PLANT PHYSIOL., 132, 2003
2V4B
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BU of 2v4b by Molmil
Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (apo-form)
分子名称: ADAMTS-1, CADMIUM ION, MAGNESIUM ION, ...
著者Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M.
登録日2007-06-28
公開日2008-01-15
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Human Adamts-1 Reveal a Conserved Catalytic Domain and a Disintegrin-Like Domain with a Fold Homologous to Cysteine-Rich Domains.
J.Mol.Biol., 373, 2007
6SAQ
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BU of 6saq by Molmil
wild-type NuoEF from Aquifex aeolicus bound to NADH-OH
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Gerhardt, S.
登録日2019-07-17
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Basis for Inhibition of ROS-Producing Respiratory Complex I by NADH-OH.
Angew.Chem.Int.Ed.Engl., 2021
6HL4
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BU of 6hl4 by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form
分子名称: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-10
公開日2019-06-26
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLI
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BU of 6hli by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form bound to NAD+
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-11
公開日2019-06-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLA
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BU of 6hla by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form bound to NADH
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-11
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HL3
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BU of 6hl3 by Molmil
wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-10
公開日2019-06-26
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLM
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BU of 6hlm by Molmil
Variant G129D of NuoEF from Aquifex aeolicus bound to NAD+
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-11
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HL2
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BU of 6hl2 by Molmil
wild-type NuoEF from Aquifex aeolicus - oxidized form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-10
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLJ
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BU of 6hlj by Molmil
Variant G129S of NuoEF from Aquifex aeolicus - oxidized from
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-11
公開日2019-06-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
3Q2H
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BU of 3q2h by Molmil
Adamts1 in complex with N-hydroxyformamide inhibitors of ADAM-TS4
分子名称: A disintegrin and metalloproteinase with thrombospondin motifs 1, CADMIUM ION, MAGNESIUM ION, ...
著者Gerhardt, S, Hargreaves, D.
登録日2010-12-20
公開日2011-03-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
3Q2G
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BU of 3q2g by Molmil
Adamts1 in complex with a novel N-hydroxyformamide inhibitors
分子名称: A disintegrin and metalloproteinase with thrombospondin motifs 1, CADMIUM ION, MAGNESIUM ION, ...
著者Gerhardt, S, Hargreaves, D.
登録日2010-12-20
公開日2011-03-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
2YIG
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BU of 2yig by Molmil
MMP13 in complex with a novel selective non zinc binding inhibitor
分子名称: 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE, CALCIUM ION, COLLAGENASE 3, ...
著者Gerhardt, S, Hargreaves, D.
登録日2011-05-13
公開日2011-06-29
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective Non Zinc Binding Inhibitors of Mmp13.
Bioorg.Med.Chem.Lett., 21, 2011
5LHM
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BU of 5lhm by Molmil
Crystal Structure of SafC from Myxococcus xanthus apo-Form
分子名称: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Gerhardt, S, Netzer, J, Einsle, O.
登録日2016-07-12
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Functional and structural characterisation of a bacterial O-methyltransferase and factors determining regioselectivity.
FEBS Lett., 591, 2017
5LDB
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BU of 5ldb by Molmil
Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N.
登録日2016-06-24
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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