1NF1
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![BU of 1nf1 by Molmil](/molmil-images/mine/1nf1) | THE GAP RELATED DOMAIN OF NEUROFIBROMIN | Descriptor: | PROTEIN (NEUROFIBROMIN) | Authors: | Scheffzek, K, Ahmadian, M.R, Wiesmueller, L, Kabsch, W, Stege, P, Schmitz, F, Wittinghofer, A. | Deposit date: | 1998-07-08 | Release date: | 1999-07-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of the GAP-related domain from neurofibromin and its implications. EMBO J., 17, 1998
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7PVO
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![BU of 7pvo by Molmil](/molmil-images/mine/7pvo) | Adenylosuccinate Synthetase from H. pylori in complex with IMP | Descriptor: | Adenylosuccinate synthetase, INOSINIC ACID, SULFATE ION | Authors: | Narczyk, M, Bzowska, A, Maksymiuk, W. | Deposit date: | 2021-10-05 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The pursuit of new alternative ways to eradicate Helicobacter pylori continues: Detailed characterization of interactions in the adenylosuccinate synthetase active site. Int.J.Biol.Macromol., 226, 2023
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4QQ6
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![BU of 4qq6 by Molmil](/molmil-images/mine/4qq6) | Crystal Structure of tudor domain of SMN1 in complex with a small organic molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-26 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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4QQD
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![BU of 4qqd by Molmil](/molmil-images/mine/4qqd) | Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-08-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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2YYK
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![BU of 2yyk by Molmil](/molmil-images/mine/2yyk) | Crystal structure of the mutant of HpaB (T198I, A276G, and R466H) | Descriptor: | 4-hydroxyphenylacetate-3-hydroxylase, ACETIC ACID, GLYCEROL, ... | Authors: | Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K. | Deposit date: | 2007-04-30 | Release date: | 2007-09-04 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8 J.Biol.Chem., 282, 2007
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6TBJ
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![BU of 6tbj by Molmil](/molmil-images/mine/6tbj) | Structure of a beta galactosidase with inhibitor | Descriptor: | 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6TBH
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![BU of 6tbh by Molmil](/molmil-images/mine/6tbh) | Structure of a beta galactosidase with inhibitor | Descriptor: | 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6FTS
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![BU of 6fts by Molmil](/molmil-images/mine/6fts) | TETR(D) N82A MUTANT IN COMPLEX WITH PEG4 | Descriptor: | CHLORIDE ION, TETRAETHYLENE GLYCOL, Tetracycline repressor protein class D | Authors: | Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B. | Deposit date: | 2018-02-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. Biochim Biophys Acta Proteins Proteom, 1868, 2020
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7QB3
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![BU of 7qb3 by Molmil](/molmil-images/mine/7qb3) | |
6G2S
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![BU of 6g2s by Molmil](/molmil-images/mine/6g2s) | Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | Deposit date: | 2018-03-23 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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6G2R
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![BU of 6g2r by Molmil](/molmil-images/mine/6g2r) | Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | Deposit date: | 2018-03-23 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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6TBG
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![BU of 6tbg by Molmil](/molmil-images/mine/6tbg) | Structure of a beta galactosidase with inhibitor | Descriptor: | 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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6G5S
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![BU of 6g5s by Molmil](/molmil-images/mine/6g5s) | Solution structure of the TPR domain of the cell division coordinator, CpoB | Descriptor: | Cell division coordinator CpoB | Authors: | Simorre, J.P, Maya Martinez, R.C, Bougault, C, Vollmer, W, Egan, A. | Deposit date: | 2018-03-29 | Release date: | 2018-08-08 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Induced conformational changes activate the peptidoglycan synthase PBP1B. Mol. Microbiol., 110, 2018
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6FZK
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![BU of 6fzk by Molmil](/molmil-images/mine/6fzk) | NMR structure of UB2H, regulatory domain of PBP1b from E. coli | Descriptor: | Penicillin-binding protein 1B | Authors: | Simorre, J.P, Maya Martinez, R.C, Bougault, C, Egan, A.J.F, Vollmer, W. | Deposit date: | 2018-03-15 | Release date: | 2019-02-20 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Induced conformational changes activate the peptidoglycan synthase PBP1B. Mol. Microbiol., 110, 2018
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7QY3
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![BU of 7qy3 by Molmil](/molmil-images/mine/7qy3) | Crystal structure of the halohydrin dehalogenase HheG D114C mutant cross-linked with BMOE | Descriptor: | 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), Putative oxidoreductase, SULFATE ION | Authors: | Henke, S, Blankenfeldt, W, Schallmey, A. | Deposit date: | 2022-01-27 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Biocatalytically active and stable cross-linked enzyme crystals of halohydrin dehalogenase HheG by protein engineering Chemcatchem, 2022
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6GMS
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![BU of 6gms by Molmil](/molmil-images/mine/6gms) | Solution NMR structure of the major type IV pilin PpdD from enterohemorrhagic Escherichia coli (EHEC) | Descriptor: | Prepilin peptidase-dependent protein D | Authors: | Amorim, G.C, Bardiaux, B, Luna-Rico, A, Zeng, W, Guilvout, I, Egelman, E, Nilges, M, Francetic, O, Izadi-Pruneyre, N. | Deposit date: | 2018-05-28 | Release date: | 2019-05-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus. Structure, 27, 2019
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2X3C
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![BU of 2x3c by Molmil](/molmil-images/mine/2x3c) | AsaP1 inactive mutant E294Q, an extracellular toxic zinc metalloendopeptidase | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Bogdanovic, X, Palm, G.J, Singh, R.K, Hinrichs, W. | Deposit date: | 2010-01-22 | Release date: | 2011-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Evidence of Intramolecular Propeptide Inhibition of the Aspzincin Metalloendopeptidase Asap1. FEBS Lett., 590, 2016
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1LFK
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![BU of 1lfk by Molmil](/molmil-images/mine/1lfk) | Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis | Descriptor: | P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pylypenko, O, Zerbe, K, Vitali, F, Zhang, W, Vrijbloed, J.W, Robinson, J.A, Schlichting, I. | Deposit date: | 2002-04-11 | Release date: | 2002-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction during Vancomycin Biosynthesis. J.Biol.Chem., 277, 2002
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7QV7
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![BU of 7qv7 by Molmil](/molmil-images/mine/7qv7) | Cryo-EM structure of Hydrogen-dependent CO2 reductase. | Descriptor: | Hydrogen dependent carbon dioxide reductase subunit FdhF, Hydrogen dependent carbon dioxide reductase subunit HycB3, Hydrogen dependent carbon dioxide reductase subunit HycB4, ... | Authors: | Dietrich, H.M, Righetto, R.D, Kumar, A, Wietrzynski, W, Schuller, S.K, Trischler, R, Wagner, J, Schwarz, F.M, Engel, B.D, Mueller, V, Schuller, J.M. | Deposit date: | 2022-01-19 | Release date: | 2022-07-06 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Membrane-anchored HDCR nanowires drive hydrogen-powered CO 2 fixation. Nature, 607, 2022
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7QAA
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![BU of 7qaa by Molmil](/molmil-images/mine/7qaa) | Crystal structure of RARalpha/RXRalpha ligand binding domain heterodimer in complex with BMS614 and oleic acid | Descriptor: | 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, Isoform Alpha-1-deltaBC of Retinoic acid receptor alpha, OLEIC ACID, ... | Authors: | le Maire, A, Vivat, V, Guee, L, Blanc, P, Malosse, C, Chamot-Rooke, J, Germain, P, Bourguet, w. | Deposit date: | 2021-11-16 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids. J.Mol.Endocrinol., 69, 2022
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2XT0
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![BU of 2xt0 by Molmil](/molmil-images/mine/2xt0) | Dehalogenase DPpA from Plesiocystis pacifica SIR-I | Descriptor: | HALOALKANE DEHALOGENASE, SULFATE ION | Authors: | Bogdanovic, X, Palm, G.J, Hinrichs, W. | Deposit date: | 2010-10-02 | Release date: | 2011-08-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cloning, Functional Expression, Biochemical Characterization, and Structural Analysis of a Haloalkane Dehalogenase from Plesiocystis Pacifica Sir-1. Appl.Microbiol.Biotechnol., 91, 2011
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2XDO
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![BU of 2xdo by Molmil](/molmil-images/mine/2xdo) | Structure of the Tetracycline degrading Monooxygenase TetX2 from Bacteroides thetaiotaomicron | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TETX2 PROTEIN | Authors: | Volkers, G, Palm, G.J, Wright, G.D, Hinrichs, W. | Deposit date: | 2010-05-05 | Release date: | 2011-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural Basis for a New Tetracycline Resistance Mechanism Relying on the Tetx Monooxygenase. FEBS Lett., 585, 2011
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7QIG
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![BU of 7qig by Molmil](/molmil-images/mine/7qig) | Infectious mouse-adapted RML scrapie prion fibril purified from terminally-infected mouse brains | Descriptor: | Major prion protein | Authors: | Manka, S.W, Zhang, W, Wenborn, A, Betts, J, Joiner, S, Saibil, H.R, Collinge, J, Wadsworth, J.D.F. | Deposit date: | 2021-12-14 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | 2.7 angstrom cryo-EM structure of ex vivo RML prion fibrils. Nat Commun, 13, 2022
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7QC6
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![BU of 7qc6 by Molmil](/molmil-images/mine/7qc6) | HisF_C9A_L50H_I52H mutant (apo) from T. maritima | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Imidazole glycerol phosphate synthase subunit HisF | Authors: | Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C. | Deposit date: | 2021-11-22 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity. J.Inorg.Biochem., 235, 2022
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7QC7
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![BU of 7qc7 by Molmil](/molmil-images/mine/7qc7) | HisF-C9A-D11E-V33A_L50H_I52H mutant (apo) from T. maritima | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Imidazole glycerol phosphate synthase subunit HisF | Authors: | Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C. | Deposit date: | 2021-11-22 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity. J.Inorg.Biochem., 235, 2022
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