Author results

1ITZ
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MAIZE TRANSKETOLASE IN COMPLEX WITH TPP
Descriptor:Transketolase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Gerhardt, S., Echt, S., Bader, G., Freigang, J., Busch, M., Bacher, A., Huber, R., Fischer, M.
Deposit date:2002-02-15
Release date:2003-02-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and properties of an engineered transketolase from maize
PLANT PHYSIOL., 132, 2003
1KYV
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LUMAZINE SYNTHASE FROM S.POMBE BOUND TO RIBOFLAVIN
Descriptor:6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION, RIBOFLAVIN
Authors:Gerhardt, S., Haase, I., Steinbacher, S., Kaiser, J.T., Cushman, M., Bacher, A., Huber, R., Fischer, M.
Deposit date:2002-02-06
Release date:2002-07-24
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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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LUMAZINE SYNTHASE FROM S.POMBE BOUND TO CARBOXYETHYLLUMAZINE
Descriptor:6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION, 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID
Authors:Gerhardt, S., Haase, I., Steinbacher, S., Kaiser, J.T., Cushman, M., Bacher, A., Huber, R., Fischer, M.
Deposit date:2002-02-06
Release date:2002-07-24
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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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LUMAZINE SYNTHASE FROM S.POMBE BOUND TO NITROPYRIMIDINEDIONE
Descriptor:6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION, 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE
Authors:Gerhardt, S., Haase, I., Steinbacher, S., Kaiser, J.T., Cushman, M., Bacher, A., Huber, R., Fischer, M.
Deposit date:2002-02-06
Release date:2002-07-24
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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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MUTANT ENZYME W27G LUMAZINE SYNTHASE FROM S.POMBE
Descriptor:6,7-Dimethyl-8-ribityllumazine Synthase
Authors:Gerhardt, S., Haase, I., Steinbacher, S., Kaiser, J.T., Cushman, M., Bacher, A., Huber, R., Fischer, M.
Deposit date:2002-02-06
Release date:2002-07-24
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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MUTANT ENZYME W63Y LUMAZINE SYNTHASE FROM S.POMBE
Descriptor:6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
Authors:Gerhardt, S., Haase, I., Steinbacher, S., Kaiser, J.T., Cushman, M., Bacher, A., Huber, R., Fischer, M.
Deposit date:2002-02-06
Release date:2002-07-24
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZ6
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MUTANT ENZYME W63Y/L119F LUMAZINE SYNTHASE FROM S.POMBE
Descriptor:6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
Authors:Gerhardt, S., Haase, I., Steinbacher, S., Kaiser, J.T., Cushman, M., Bacher, A., Huber, R., Fischer, M.
Deposit date:2002-02-06
Release date:2002-07-24
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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MUTANT ENZYME L119F LUMAZINE SYNTHASE FROM S.POMBE
Descriptor:6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
Authors:Gerhardt, S., Haase, I., Steinbacher, S., Kaiser, J.T., Cushman, M., Bacher, A., Huber, R., Fischer, M.
Deposit date:2002-02-06
Release date:2002-07-24
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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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RIBOFLAVIN SYNTHASE FROM S.POMBE BOUND TO CARBOXYETHYLLUMAZINE
Descriptor:Riboflavin Synthase, MERCURY (II) ION, 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID
Authors:Gerhardt, S., Schott, A.K., Kairies, N., Cushman, M., Illarionov, B., Eisenreich, W., Bacher, A., Huber, R., Steinbacher, S., Fischer, M.
Deposit date:2002-02-07
Release date:2002-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
2VXS
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STRUCTURE OF IL-17A IN COMPLEX WITH A POTENT, FULLY HUMAN NEUTRALISING ANTIBODY
Descriptor:INTERLEUKIN-17A, FAB FRAGMENT, SULFATE ION
Authors: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.
Deposit date:2008-07-09
Release date:2009-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody.
J.Mol.Biol., 394, 2009
2JIH
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CRYSTAL STRUCTURE OF HUMAN ADAMTS-1 CATALYTIC DOMAIN AND CYSTEINE- RICH DOMAIN (COMPLEX-FORM)
Descriptor:ADAMTS-1, (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ZINC ION, ...
Authors: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.
Deposit date:2007-06-28
Release date:2008-01-15
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
2V4B
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CRYSTAL STRUCTURE OF HUMAN ADAMTS-1 CATALYTIC DOMAIN AND CYSTEINE- RICH DOMAIN (APO-FORM)
Descriptor:ADAMTS-1, ZINC ION, CADMIUM ION, ...
Authors: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.
Deposit date:2007-06-28
Release date:2008-01-15
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
6HL2
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WILD-TYPE NUOEF FROM AQUIFEX AEOLICUS - OXIDIZED FORM
Descriptor:NADH-quinone oxidoreductase subunit E, NADH-quinone oxidoreductase subunit F, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gerhardt, S., Friedrich, T., Einsle, O., Gnandt, E., Schulte, M., Fiegen, D.
Deposit date:2018-09-10
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HL3
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WILD-TYPE NUOEF FROM AQUIFEX AEOLICUS - OXIDIZED FORM BOUND TO NAD+
Descriptor:NADH-quinone oxidoreductase subunit E, NADH-quinone oxidoreductase subunit F, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gerhardt, S., Friedrich, T., Einsle, O., Gnandt, E., Schulte, M., Fiegen, D.
Deposit date:2018-09-10
Release date:2019-06-26
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HL4
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WILD-TYPE NUOEF FROM AQUIFEX AEOLICUS - REDUCED FORM
Descriptor:NADH-quinone oxidoreductase subunit E, NADH-quinone oxidoreductase subunit F, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gerhardt, S., Friedrich, T., Einsle, O., Gnandt, E., Schulte, M., Fiegen, D.
Deposit date:2018-09-10
Release date:2019-06-26
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLA
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WILD-TYPE NUOEF FROM AQUIFEX AEOLICUS - REDUCED FORM BOUND TO NADH
Descriptor:NADH-quinone oxidoreductase subunit E, NADH-quinone oxidoreductase subunit F, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gerhardt, S., Friedrich, T., Einsle, O., Gnandt, E., Schulte, M., Fiegen, D.
Deposit date:2018-09-11
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLI
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WILD-TYPE NUOEF FROM AQUIFEX AEOLICUS - REDUCED FORM BOUND TO NAD+
Descriptor:NADH-quinone oxidoreductase subunit E, NADH-quinone oxidoreductase subunit F, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gerhardt, S., Friedrich, T., Einsle, O., Gnandt, E., Schulte, M., Fiegen, D.
Deposit date:2018-09-11
Release date:2019-06-26
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLJ
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VARIANT G129S OF NUOEF FROM AQUIFEX AEOLICUS - OXIDIZED FROM
Descriptor:NADH-quinone oxidoreductase subunit E, NADH-quinone oxidoreductase subunit F, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gerhardt, S., Friedrich, T., Einsle, O., Gnandt, E., Schulte, M., Fiegen, D.
Deposit date:2018-09-11
Release date:2019-06-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLM
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VARIANT G129D OF NUOEF FROM AQUIFEX AEOLICUS BOUND TO NAD+
Descriptor:NADH-quinone oxidoreductase subunit E, NADH-quinone oxidoreductase subunit F, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gerhardt, S., Friedrich, T., Einsle, O., Gnandt, E., Schulte, M., Fiegen, D.
Deposit date:2018-09-11
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
3Q2G
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ADAMTS1 IN COMPLEX WITH A NOVEL N-HYDROXYFORMAMIDE INHIBITORS
Descriptor:A disintegrin and metalloproteinase with thrombospondin motifs 1, N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide, ZINC ION, ...
Authors:Gerhardt, S., Hargreaves, D.
Deposit date:2010-12-20
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
3Q2H
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ADAMTS1 IN COMPLEX WITH N-HYDROXYFORMAMIDE INHIBITORS OF ADAM-TS4
Descriptor:A disintegrin and metalloproteinase with thrombospondin motifs 1, ZINC ION, CADMIUM ION, ...
Authors:Gerhardt, S., Hargreaves, D.
Deposit date:2010-12-20
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
4A9Y
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P38ALPHA MAP KINASE BOUND TO CMPD 8
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
Authors:Gerhardt, S., Hargreaves, D.
Deposit date:2011-11-29
Release date:2012-05-16
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
4AA0
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P38ALPHA MAP KINASE BOUND TO CMPD 2
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide
Authors:Gerhardt, S., Hargreaves, D.
Deposit date:2011-11-30
Release date:2012-05-16
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
4AA4
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P38ALPHA MAP KINASE BOUND TO CMPD 22
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE
Authors:Gerhardt, S., Hargreaves, D.
Deposit date:2011-11-30
Release date:2012-05-16
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
4AA5
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P38ALPHA MAP KINASE BOUND TO CMPD 33
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE
Authors:Gerhardt, S., Hargreaves, D.
Deposit date:2011-11-30
Release date:2012-05-16
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012