1M7B
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![BU of 1m7b by Molmil](/molmil-images/mine/1m7b) | Crystal structure of Rnd3/RhoE: functional implications | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rnd3/RhoE small GTP-binding protein | Authors: | Fiegen, D, Blumenstein, L, Stege, P, Vetter, I.R, Ahmadian, M.R. | Deposit date: | 2002-07-19 | Release date: | 2002-08-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Rnd3/RhoE: functional implications FEBS LETT., 525, 2002
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6H8S
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1RYH
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1RYF
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6ZVO
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![BU of 6zvo by Molmil](/molmil-images/mine/6zvo) | Crystal structure of unliganded MLKL executioner domain | Descriptor: | BROMIDE ION, CHLORIDE ION, Mixed lineage kinase domain-like protein | Authors: | Fiegen, D, Bauer, M, Nar, H. | Deposit date: | 2020-07-27 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.371 Å) | Cite: | Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis. Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZZ1
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![BU of 6zz1 by Molmil](/molmil-images/mine/6zz1) | Crystal structure of MLKL executioner domain in complex with a covalent inhibitor | Descriptor: | 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione, Mixed lineage kinase domain-like protein | Authors: | Fiegen, D, Bauer, M, Nar, H. | Deposit date: | 2020-08-03 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis. Proc.Natl.Acad.Sci.USA, 117, 2020
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6TX4
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6TX9
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6TX7
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6TX8
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6TX5
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6TX6
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6TXX
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![BU of 6txx by Molmil](/molmil-images/mine/6txx) | CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2 | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Fiegen, D, Draxler, S.W. | Deposit date: | 2020-01-14 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020
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2ATX
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![BU of 2atx by Molmil](/molmil-images/mine/2atx) | Crystal Structure of the TC10 GppNHp complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, small GTP binding protein TC10 | Authors: | Hemsath, L, Dvorsky, R, Fiegen, D, Carlier, M.F, Ahmadian, M.R. | Deposit date: | 2005-08-26 | Release date: | 2005-09-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | An electrostatic steering mechanism of Cdc42 recognition by Wiskott-Aldrich syndrome proteins Mol.Cell, 20, 2005
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5F2P
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![BU of 5f2p by Molmil](/molmil-images/mine/5f2p) | Crystal structure of the BRD9 bromodomain in complex with compound 3. | Descriptor: | 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9 | Authors: | Nar, H, Fiegen, D, Zoephel, A, Bader, G. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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6HL4
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![BU of 6hl4 by Molmil](/molmil-images/mine/6hl4) | wild-type NuoEF from Aquifex aeolicus - reduced form | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | 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
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6HLI
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![BU of 6hli by Molmil](/molmil-images/mine/6hli) | wild-type NuoEF from Aquifex aeolicus - reduced form bound to NAD+ | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | 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
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6HL3
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![BU of 6hl3 by Molmil](/molmil-images/mine/6hl3) | wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+ | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, 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 | Last modified: | 2024-05-01 | 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
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6HLM
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![BU of 6hlm by Molmil](/molmil-images/mine/6hlm) | Variant G129D of NuoEF from Aquifex aeolicus bound to NAD+ | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | 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
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6HL2
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![BU of 6hl2 by Molmil](/molmil-images/mine/6hl2) | wild-type NuoEF from Aquifex aeolicus - oxidized form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, 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 | Last modified: | 2024-05-01 | 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
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6HLJ
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![BU of 6hlj by Molmil](/molmil-images/mine/6hlj) | Variant G129S of NuoEF from Aquifex aeolicus - oxidized from | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | 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
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6HLA
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![BU of 6hla by Molmil](/molmil-images/mine/6hla) | wild-type NuoEF from Aquifex aeolicus - reduced form bound to NADH | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | 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
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6H8R
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![BU of 6h8r by Molmil](/molmil-images/mine/6h8r) | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2 | Descriptor: | 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | Authors: | Hoerer, S, Fiegen, D, Schnapp, G. | Deposit date: | 2018-08-03 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule. J. Med. Chem., 62, 2019
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6TL9
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![BU of 6tl9 by Molmil](/molmil-images/mine/6tl9) | CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 IN COMPLEX WITH BI-0115 | Descriptor: | 9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one, GLYCEROL, Oxidized low-density lipoprotein receptor 1 | Authors: | Nar, H, Fiegen, D, Schnapp, G. | Deposit date: | 2019-12-02 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.734 Å) | Cite: | A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state Commun Chem, 2020
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6TLA
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![BU of 6tla by Molmil](/molmil-images/mine/6tla) | CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 (C 1 2 1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Oxidized low-density lipoprotein receptor 1 | Authors: | Nar, H, Fiegen, D, Schnapp, G. | Deposit date: | 2019-12-02 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state Commun Chem, 2020
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