1LU0
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![BU of 1lu0 by Molmil](/molmil-images/mine/1lu0) | Atomic Resolution Structure of Squash Trypsin Inhibitor: Unexpected Metal Coordination | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, GLYCEROL, SULFATE ION, ... | Authors: | Thaimattam, R, Tykarska, E, Bierzynski, A, Sheldrick, G.M, Jaskolski, M. | Deposit date: | 2002-05-21 | Release date: | 2002-08-28 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Atomic resolution structure of squash trypsin inhibitor: unexpected metal coordination. Acta Crystallogr.,Sect.D, 58, 2002
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4U16
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![BU of 4u16 by Molmil](/molmil-images/mine/4u16) | M3-mT4L receptor bound to NMS | Descriptor: | D(-)-TARTARIC ACID, Muscarinic acetylcholine receptor M3,Lysozyme,Muscarinic acetylcholine receptor M3, N-methyl scopolamine | Authors: | Thorsen, T.S, Matt, R, Weis, W.I, Kobilka, B. | Deposit date: | 2014-07-15 | Release date: | 2014-11-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis. Structure, 22, 2014
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4U15
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![BU of 4u15 by Molmil](/molmil-images/mine/4u15) | M3-mT4L receptor bound to tiotropium | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, D(-)-TARTARIC ACID, ... | Authors: | Thorsen, T.S, Matt, R, Weis, W.I, Kobilka, B. | Deposit date: | 2014-07-15 | Release date: | 2014-11-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis. Structure, 22, 2014
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4FNT
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![BU of 4fnt by Molmil](/molmil-images/mine/4fnt) | Crystal structure of GH36 alpha-galactosidase AgaA A355E D548N from Geobacillus stearothermophilus in complex with raffinose | Descriptor: | Alpha-galactosidase AgaA, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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4FNQ
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![BU of 4fnq by Molmil](/molmil-images/mine/4fnq) | Crystal structure of GH36 alpha-galactosidase AgaB from Geobacillus stearothermophilus | Descriptor: | 1,2-ETHANEDIOL, Alpha-galactosidase AgaB | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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4FNP
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![BU of 4fnp by Molmil](/molmil-images/mine/4fnp) | Crystal structure of GH36 alpha-galactosidase AgaA A355E from Geobacillus stearothermophilus | Descriptor: | Alpha-galactosidase AgaA, SULFATE ION | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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4FNU
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![BU of 4fnu by Molmil](/molmil-images/mine/4fnu) | Crystal structure of GH36 alpha-galactosidase AgaA A355E D478A from Geobacillus stearothermophilus in complex with stachyose | Descriptor: | Alpha-galactosidase AgaA, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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7UR3
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![BU of 7ur3 by Molmil](/molmil-images/mine/7ur3) | Hsp90 alpha inhibitor | Descriptor: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone, Heat shock protein HSP 90-alpha | Authors: | Deng, J, Peng, S, Balch, M, Matts, R. | Deposit date: | 2022-04-21 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Activity Relationship Study of Tertiary Alcohol Hsp90 alpha-Selective Inhibitors with Novel Binding Mode. Acs Med.Chem.Lett., 13, 2022
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4FNR
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![BU of 4fnr by Molmil](/molmil-images/mine/4fnr) | Crystal structure of GH36 alpha-galactosidase AgaA from Geobacillus stearothermophilus | Descriptor: | Alpha-galactosidase AgaA | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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4FNS
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![BU of 4fns by Molmil](/molmil-images/mine/4fns) | Crystal structure of GH36 alpha-galactosidase AgaA A355E from Geobacillus stearothermophilus in complex with 1-deoxygalactonojirimycin | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, Alpha-galactosidase AgaA, ... | Authors: | Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P. | Deposit date: | 2012-06-20 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies J.Biol.Chem., 287, 2012
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5UC4
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![BU of 5uc4 by Molmil](/molmil-images/mine/5uc4) | Hsp90b N-terminal domain with inhibitors | Descriptor: | 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Deng, J, Peng, S, Balch, M, Matts, R. | Deposit date: | 2016-12-21 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor. Nat Commun, 9, 2018
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5UCI
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![BU of 5uci by Molmil](/molmil-images/mine/5uci) | Hsp90b N-terminal domain with inhibitors | Descriptor: | (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | Deposit date: | 2016-12-22 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor. Nat Commun, 9, 2018
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5UCH
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![BU of 5uch by Molmil](/molmil-images/mine/5uch) | Hsp90b N-terminal domain with inhibitors | Descriptor: | 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | Deposit date: | 2016-12-22 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.654 Å) | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor. Nat Commun, 9, 2018
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5UCJ
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![BU of 5ucj by Molmil](/molmil-images/mine/5ucj) | Hsp90b N-terminal domain with inhibitors | Descriptor: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-beta | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | Deposit date: | 2016-12-22 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor. Nat Commun, 9, 2018
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4P2X
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![BU of 4p2x by Molmil](/molmil-images/mine/4p2x) | Swapped Dimer of Mycobacterial Adenylyl cyclase Rv1625c: Form 2 | Descriptor: | Adenylate cyclase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Barathy, D.V, Mattoo, R, Visweswariah, S.S, Suguna, K. | Deposit date: | 2014-03-05 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | New structural forms of a mycobacterial adenylyl cyclase Rv1625c. Iucrj, 1, 2014
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4P2F
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![BU of 4p2f by Molmil](/molmil-images/mine/4p2f) | Monomeric form of a single mutant (F363R) of Mycobacterial Adenylyl cyclase Rv1625c | Descriptor: | 1,2-ETHANEDIOL, Adenylate cyclase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Barathy, D.V, Mattoo, R, Visweswariah, S.S, Suguna, K. | Deposit date: | 2014-03-04 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | New structural forms of a mycobacterial adenylyl cyclase Rv1625c. Iucrj, 1, 2014
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4P2M
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![BU of 4p2m by Molmil](/molmil-images/mine/4p2m) | Swapped Dimer of Mycobacterial Adenylyl cyclase Rv1625c: Form 1 | Descriptor: | Adenylate cyclase, DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Barathy, D.V, Mattoo, R, Visweswariah, S.S, Suguna, K. | Deposit date: | 2014-03-04 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | New structural forms of a mycobacterial adenylyl cyclase Rv1625c. Iucrj, 1, 2014
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1P4U
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![BU of 1p4u by Molmil](/molmil-images/mine/1p4u) | CRYSTAL STRUCTURE OF GGA3 GAE DOMAIN IN COMPLEX WITH RABAPTIN-5 PEPTIDE | Descriptor: | ADP-ribosylation factor binding protein GGA3, Rabaptin-5 | Authors: | Miller, G.J, Mattera, R, Bonifacino, J.S, Hurley, J.H. | Deposit date: | 2003-04-24 | Release date: | 2003-07-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | RECOGNITION OF ACCESSORY PROTEIN MOTIFS BY THE GAMMA-ADAPTIN EAR DOMAIN OF GGA3 Nat.Struct.Biol., 10, 2003
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1YD8
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![BU of 1yd8 by Molmil](/molmil-images/mine/1yd8) | COMPLEX OF HUMAN GGA3 GAT DOMAIN AND UBIQUITIN | Descriptor: | ADP-RIBOSYLATION FACTOR BINDING PROTEIN GGA3, UBIQUIN | Authors: | Prag, G, Lee, S, Mattera, R, Arighi, C.N, Beach, B.M, Bonifacino, J.S, Hurley, J.H. | Deposit date: | 2004-12-23 | Release date: | 2005-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural mechanism for ubiquitinated-cargo recognition by the Golgi-localized, {gamma}-ear-containing, ADP-ribosylation-factor-binding proteins Proc.Natl.Acad.Sci.USA, 102, 2005
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4U14
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![BU of 4u14 by Molmil](/molmil-images/mine/4u14) | Structure of the M3 muscarinic acetylcholine receptor bound to the antagonist tiotropium crystallized with disulfide-stabilized T4 lysozyme (dsT4L) | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3,Endolysin,Muscarinic acetylcholine receptor M3 | Authors: | Thorsen, T.S, Matt, R.A, Weis, W.I, Kobilka, B.K. | Deposit date: | 2014-07-15 | Release date: | 2014-11-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.57 Å) | Cite: | Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis. Structure, 22, 2014
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7RY0
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![BU of 7ry0 by Molmil](/molmil-images/mine/7ry0) | human Hsp90_MC domain structure | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Heat shock protein HSP 90-alpha | Authors: | Peng, S, Deng, J, Matts, R. | Deposit date: | 2021-08-24 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of the key residue W320 responsible for Hsp90 conformational change. J.Biomol.Struct.Dyn., 2022
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7U8W
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![BU of 7u8w by Molmil](/molmil-images/mine/7u8w) | hTRAP1 with inhibitors | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.706 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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7U8X
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![BU of 7u8x by Molmil](/molmil-images/mine/7u8x) | hTRAP1 with inhibitors | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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7U8V
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![BU of 7u8v by Molmil](/molmil-images/mine/7u8v) | hTRAP1 with inhibitors | Descriptor: | (4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone], Heat shock protein 75 kDa, mitochondrial | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.448 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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7U8U
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![BU of 7u8u by Molmil](/molmil-images/mine/7u8u) | hTRAP1 with inhibitors | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.065 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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