2FWY
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2FXS
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![BU of 2fxs by Molmil](/molmil-images/mine/2fxs) | Yeast HSP82 in complex with the novel HSP90 Inhibitor Radamide | Descriptor: | ATP-dependent molecular chaperone HSP82, GLYCEROL, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE | Authors: | Immormino, R.M, Gewirth, D.T. | Deposit date: | 2006-02-06 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design. J.Mol.Biol., 388, 2009
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2FR1
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2FYP
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![BU of 2fyp by Molmil](/molmil-images/mine/2fyp) | GRP94 in complex with the novel HSP90 Inhibitor Radester amine | Descriptor: | 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, Endoplasmin, PENTAETHYLENE GLYCOL, ... | Authors: | Immormino, R.M, Gewirth, D.T. | Deposit date: | 2006-02-08 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Inhibittory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design To be Published
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2SPM
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2SPN
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![BU of 2spn by Molmil](/molmil-images/mine/2spn) | A NOVEL SITE-DIRECTED MUTANT OF MYOGLOBIN WITH AN UNUSUALLY HIGH O2 AFFINITY AND LOW AUTOOXIDATION RATE | Descriptor: | MYOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Quillin, M.L, Arduini, R.M, Phillips Jr, G.N. | Deposit date: | 1993-08-25 | Release date: | 1994-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A novel site-directed mutant of myoglobin with an unusually high O2 affinity and low autooxidation rate. J.Biol.Chem., 267, 1992
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2SPO
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2FON
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4HB1
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![BU of 4hb1 by Molmil](/molmil-images/mine/4hb1) | A DESIGNED FOUR HELIX BUNDLE PROTEIN. | Descriptor: | DHP1, UNKNOWN ATOM OR ION | Authors: | Schafmeister, C.E, Laporte, S.L, Miercke, L.J.W, Stroud, R.M. | Deposit date: | 1997-11-10 | Release date: | 1998-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A designed four helix bundle protein with native-like structure. Nat.Struct.Biol., 4, 1997
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2R5Q
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![BU of 2r5q by Molmil](/molmil-images/mine/2r5q) | Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease | Authors: | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-04 | Release date: | 2007-11-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Contribution of Naturally Occurring Polymorphisms in Altering the Biochemical and Structural Characteristics of HIV-1 Subtype C Protease Biochemistry, 47, 2008
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6EBC
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![BU of 6ebc by Molmil](/molmil-images/mine/6ebc) | OhrB (Organic Hydroperoxide Resistance protein) wild type from Chromobacterium violaceum and reduced by DTT | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, Organic hydroperoxide resistance protein | Authors: | Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S. | Deposit date: | 2018-08-06 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle Acs Catalysis, 2020
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4HNW
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![BU of 4hnw by Molmil](/molmil-images/mine/4hnw) | The NatA Acetyltransferase Complex Bound To Inositol Hexakisphosphate | Descriptor: | INOSITOL HEXAKISPHOSPHATE, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1, ... | Authors: | Neubauer, J.L, Immormino, R.M, Dollins, D.E, Endo-Streeter, S.T, Pemble IV, C.W, York, J.D. | Deposit date: | 2012-10-21 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | The Protein Complex NatA Binds Inositol Hexakisphosphate and Exhibits Conformational Flexibility To be Published
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1N7H
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![BU of 1n7h by Molmil](/molmil-images/mine/1n7h) | Crystal Structure of GDP-mannose 4,6-dehydratase ternary complex with NADPH and GDP | Descriptor: | GDP-D-mannose-4,6-dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mulichak, A.M, Bonin, C.P, Reiter, W.-D, Garavito, R.M. | Deposit date: | 2002-11-14 | Release date: | 2003-01-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of the MUR1 GDP-mannose
4,6-dehydratase from A. thaliana:
Implications for ligand binding and specificity. Biochemistry, 41, 2002
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2R8N
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![BU of 2r8n by Molmil](/molmil-images/mine/2r8n) | Structural Analysis of the Unbound Form of HIV-1 Subtype C Protease | Descriptor: | GLYCEROL, Pol protein | Authors: | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-11 | Release date: | 2008-07-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution structure of unbound human immunodeficiency virus 1 subtype C protease: implications of flap dynamics and drug resistance. Acta Crystallogr.,Sect.D, 64, 2008
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6EBG
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![BU of 6ebg by Molmil](/molmil-images/mine/6ebg) | Ohr (Organic Hydroperoxide Resistance protein) mutant - C60S interacting with dihydrolipoamide | Descriptor: | (6S)-6,8-disulfanyloctanamide, Organic hydroperoxide resistance protein | Authors: | Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S. | Deposit date: | 2018-08-06 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle Acs Catalysis, 2020
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6AL6
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![BU of 6al6 by Molmil](/molmil-images/mine/6al6) | Crystal structure HpiC1 in P42 space group | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.088 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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2JQP
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![BU of 2jqp by Molmil](/molmil-images/mine/2jqp) | NMR structure determination of Bungatoxin from Bungarus candidus (Malayan Krait) | Descriptor: | Weak toxin 1 | Authors: | Vivekanandan, S, Jois, S.D, Kini, R.M, Troncone, L.R.P, de Magalhaes, L, Ujikawa, G.Y, Ramos, A.T. | Deposit date: | 2007-06-06 | Release date: | 2007-06-19 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | NMR solution Structure of Bungatoxin from Bungarus Candidus (Malayan Krait)venom To be Published
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2RKD
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![BU of 2rkd by Molmil](/molmil-images/mine/2rkd) | The Structure of rat cytosolic PEPCK in complex with 3-phosphonopropionate | Descriptor: | 3-PHOSPHONOPROPANOIC ACID, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ... | Authors: | Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T. | Deposit date: | 2007-10-16 | Release date: | 2008-01-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition. Biochemistry, 47, 2008
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4HNY
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![BU of 4hny by Molmil](/molmil-images/mine/4hny) | Apo N-terminal acetyltransferase complex A | Descriptor: | GLYCEROL, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1, ... | Authors: | Neubauer, J.L, Immormino, R.M, Dollins, D.E, Endo-Streeter, S.T, Pemble IV, C.W, York, J.D. | Deposit date: | 2012-10-21 | Release date: | 2014-03-26 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | The Protein Complex NatA Binds Inositol Hexakisphosphate and Exhibits Conformational Flexibility To be Published
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6E9O
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5IKW
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![BU of 5ikw by Molmil](/molmil-images/mine/5ikw) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-04 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A To Be Published
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6EBD
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![BU of 6ebd by Molmil](/molmil-images/mine/6ebd) | OhrB (Organic Hydroperoxide Resistance protein) mutant (C60A) from Chromobacterium violaceum, interacting with dihydrolipoamide | Descriptor: | (6S)-6,8-disulfanyloctanamide, CHLORIDE ION, Organic hydroperoxide resistance protein | Authors: | Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S. | Deposit date: | 2018-08-06 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle Acs Catalysis, 2020
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6AL8
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![BU of 6al8 by Molmil](/molmil-images/mine/6al8) | Crystal structure HpiC1 Y101F/F138S | Descriptor: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5I99
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![BU of 5i99 by Molmil](/molmil-images/mine/5i99) | Crystal structure of mouse CNTN3 Ig5-Fn2 domains | Descriptor: | Contactin-3, GLYCEROL | Authors: | Nikolaienko, R.M, Bouyain, S. | Deposit date: | 2016-02-19 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Interactions Between Contactin Family Members and Protein-tyrosine Phosphatase Receptor Type G in Neural Tissues. J.Biol.Chem., 291, 2016
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6ED0
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![BU of 6ed0 by Molmil](/molmil-images/mine/6ed0) | |