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PDB: 17 件
2XIY
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Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen
分子名称: 2-HYDROXYMETHYL-BENZOIMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
登録日2010-07-01
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XJ0
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Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen
分子名称: (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1
著者Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
登録日2010-07-01
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XJ2
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BU of 2xj2 by Molmil
Protein kinase Pim-1 in complex with small molecule inhibitor
分子名称: (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1
著者Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
登録日2010-07-01
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XJ1
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BU of 2xj1 by Molmil
Protein kinase Pim-1 in complex with small molecule inibitor
分子名称: (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1
著者Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
登録日2010-07-01
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XIZ
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BU of 2xiz by Molmil
Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen
分子名称: (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1
著者Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
登録日2010-07-01
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XIX
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Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen
分子名称: 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1
著者Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C.
登録日2010-07-01
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
8CDG
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Crystal structure of human IL-17A cytokine in complex with macrocycle
分子名称: (9~{S},12~{R},19~{S})-9-[[4-[[(2~{S})-2-cyclohexyl-2-(2-phenylethanoylamino)ethanoyl]amino]phenyl]methyl]-12-methyl-7,10,13,21-tetrakis(oxidanylidene)-8,11,14,20-tetrazaspiro[4.17]docosane-19-carboxylic acid, Interleukin-17A
著者Schulze, M.-S.
登録日2023-01-30
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Modulation of IL-17 backbone dynamics reduces receptor affinity and reveals a new inhibitory mechanism.
Chem Sci, 14, 2023
8B7H
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Crystal structure of human Gremlin-1 in complex with Fab
分子名称: Fab antibody fragment (heavy chain), Fab antibody fragment (light chain), Gremlin-1
著者Schulze, M.-S, Martinez-Fleites, C.
登録日2022-09-30
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of ginisortamab, a potent and novel anti-gremlin-1 antibody in clinical development for the treatment of cancer.
Mabs, 15, 2023
6GY1
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rat COMT in complex with inhibitor
分子名称: 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol, Catechol O-methyltransferase, DIMETHYL SULFOXIDE, ...
著者Schulze, M.-S.
登録日2018-06-27
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimization of 8-Hydroxyquinolines as Inhibitors of Catechol O-Methyltransferase.
J. Med. Chem., 61, 2018
4I5B
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BU of 4i5b by Molmil
Structure of human MHC class II protein HLA-DR1 carrying an influenza hemagglutinin peptide partially filling the binding groove
分子名称: HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ...
著者Schulze, M.-S.E.D.
登録日2012-11-28
公開日2013-12-04
最終更新日2015-04-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Disruption of hydrogen bonds between major histocompatibility complex class II and the peptide N-terminus is not sufficient to form a human leukocyte antigen-DM receptive state of major histocompatibility complex class II.
Plos One, 8, 2013
8P41
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Crystal structure of glucocerebrosidase in complex with allosteric activator
分子名称: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid, 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Schulze, M.-S.
登録日2023-05-18
公開日2024-03-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Identification of ss-Glucocerebrosidase Activators for Glucosylceramide hydrolysis.
Chemmedchem, 19, 2024
8P3E
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BU of 8p3e by Molmil
Crystal structure of glucocerebrosidase in complex with allosteric activator
分子名称: 2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid, 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Schulze, M.-S.
登録日2023-05-17
公開日2024-03-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of ss-Glucocerebrosidase Activators for Glucosylceramide hydrolysis.
Chemmedchem, 19, 2024
2V9U
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Rim domain of main porin from Mycobacteria smegmatis
分子名称: MSPA
著者Grueninger, D, Ziegler, M.O.P, Koetter, J.W.A, Treiber, N, Schulze, M.-S, Schulz, G.E.
登録日2007-08-27
公開日2008-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Designed Protein-Protein Association.
Science, 319, 2008
4BFC
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BU of 4bfc by Molmil
Crystal structure of the C-terminal CMP-Kdo binding domain of WaaA from Acinetobacter baumannii
分子名称: 3-DEOXY-D-MANNO-OCTULOSONIC-ACID TRANSFERASE, BETA-MERCAPTOETHANOL, SULFATE ION
著者Kimbung, Y.R, Hakansson, M, Logan, D, Wang, P.F, Schulz, M, Mamat, U, Woodard, R.W.
登録日2013-03-18
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the C-Terminal Cmp-Kdo Binding Domain of Waaa from Acinetobacter Baumannii
To be Published
7OP0
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Crystal structure of complement C5 in complex with chemically synthesized K92 knob domain.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, ...
著者Macpherson, A, van der Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
登録日2021-05-28
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The Chemical Synthesis of Knob Domain Antibody Fragments.
Acs Chem.Biol., 16, 2021
7AD7
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Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
登録日2020-09-14
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
7AD6
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Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide.
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ...
著者Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
登録日2020-09-14
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021

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件を2024-07-31に公開中

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