5HBI
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![BU of 5hbi by Molmil](/molmil-images/mine/5hbi) | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, CO-LIGANDED FORM | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-24 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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6HBI
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![BU of 6hbi by Molmil](/molmil-images/mine/6hbi) | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, DEOXY FORM | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-25 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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3CKT
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![BU of 3ckt by Molmil](/molmil-images/mine/3ckt) | HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (orthorombic space group) | Descriptor: | (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, CHLORIDE ION, Protease | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2008-03-17 | Release date: | 2009-03-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors J.Mol.Biol., 410, 2011
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7Z6U
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![BU of 7z6u by Molmil](/molmil-images/mine/7z6u) | Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | Descriptor: | 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2022-03-14 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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7UQA
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![BU of 7uqa by Molmil](/molmil-images/mine/7uqa) | Crystal structure of the small Ultra-Red Fluorescent Protein (smURFP) | Descriptor: | CHLORIDE ION, SODIUM ION, small Ultra-Red Fluorescent Protein (smURFP) | Authors: | Maiti, A, Buffalo, C.Z, Saurabh, S, Montecinos-Franjola, F, Hachey, J.S, Conlon, W.J, Tran, G.N, Drobizhev, M, Moerner, W.E, Ghosh, P, Matsuo, H, Tsien, R.Y, Lin, J.Y, Rodriguez, E.A. | Deposit date: | 2022-04-19 | Release date: | 2023-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structural and photophysical characterization of the small ultra-red fluorescent protein. Nat Commun, 14, 2023
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6E0I
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![BU of 6e0i by Molmil](/molmil-images/mine/6e0i) | Crystal structure of Glucokinase in complex with compound 72 | Descriptor: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one, DIMETHYL SULFOXIDE, Glucokinase, ... | Authors: | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | Deposit date: | 2018-07-06 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator. Bioorg.Med.Chem., 28, 2020
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6E0E
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![BU of 6e0e by Molmil](/molmil-images/mine/6e0e) | Crystal structure of Glucokinase in complex with compound 6 | Descriptor: | 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile, Glucokinase, alpha-D-glucopyranose | Authors: | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | Deposit date: | 2018-07-06 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator. Bioorg.Med.Chem., 28, 2020
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2R4Z
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![BU of 2r4z by Molmil](/molmil-images/mine/2r4z) | Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: Structure of I25W with CO | Descriptor: | CARBON MONOXIDE, Globin-1, PHOSPHATE ION, ... | Authors: | Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U. | Deposit date: | 2007-09-02 | Release date: | 2007-11-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis Biochemistry, 46, 2007
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2R4Y
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![BU of 2r4y by Molmil](/molmil-images/mine/2r4y) | Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: H69V/I114M unliganded | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U. | Deposit date: | 2007-09-02 | Release date: | 2007-11-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis Biochemistry, 46, 2007
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6HBW
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![BU of 6hbw by Molmil](/molmil-images/mine/6hbw) | |
4SDH
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![BU of 4sdh by Molmil](/molmil-images/mine/4sdh) | |
2GTL
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![BU of 2gtl by Molmil](/molmil-images/mine/2gtl) | Lumbricus Erythrocruorin at 3.5A resolution | Descriptor: | CALCIUM ION, CARBON MONOXIDE, Extracellular globin 2, ... | Authors: | Royer Jr, W.E, Sharma, H, Strand, K, Knapp, J.E, Bhyravbhatla, B. | Deposit date: | 2006-04-28 | Release date: | 2006-07-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Lumbricus erythrocruorin at 3.5 a resolution: architecture of a megadalton respiratory complex. Structure, 14, 2006
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3LHB
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![BU of 3lhb by Molmil](/molmil-images/mine/3lhb) | |
2VER
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![BU of 2ver by Molmil](/molmil-images/mine/2ver) | Structural model for the complex between the Dr adhesins and carcinoembryonic antigen (CEA) | Descriptor: | AFIMBRIAL ADHESIN AFA-III, ARCINOEMBRYONIC ANTIGEN-RELATED CELL ADHESION MOLECULE 5, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | Authors: | Korotkova, N, Yang, Y, Le Trong, I, Cota, E, Demeler, B, Marchant, J, Thomas, W.E, Stenkamp, R.E, Moseley, S.L, Matthews, S. | Deposit date: | 2007-10-26 | Release date: | 2008-01-08 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Binding of Dr Adhesins of Escherichia Coli to Carcinoembryonic Antigen Triggers Receptor Dissociation. Mol.Microbiol., 67, 2008
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1EYC
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![BU of 1eyc by Molmil](/molmil-images/mine/1eyc) | |
1EY0
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![BU of 1ey0 by Molmil](/molmil-images/mine/1ey0) | |
1EY8
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![BU of 1ey8 by Molmil](/molmil-images/mine/1ey8) | |
2HBS
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![BU of 2hbs by Molmil](/molmil-images/mine/2hbs) | THE HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S | Descriptor: | HEMOGLOBIN S (DEOXY), ALPHA CHAIN, BETA CHAIN, ... | Authors: | Harrington, D.J, Adachi, K, Royer Junior, W.E. | Deposit date: | 1997-05-06 | Release date: | 1997-07-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The high resolution crystal structure of deoxyhemoglobin S. J.Mol.Biol., 272, 1997
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3V99
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![BU of 3v99 by Molmil](/molmil-images/mine/3v99) | S663D Stable-5-LOX in complex with Arachidonic Acid | Descriptor: | ARACHIDONIC ACID, Arachidonate 5-lipoxygenase, FE (II) ION | Authors: | Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E. | Deposit date: | 2011-12-23 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663. Faseb J., 26, 2012
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3V92
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![BU of 3v92 by Molmil](/molmil-images/mine/3v92) | S663A Stable-5-LOX | Descriptor: | Arachidonate 5-lipoxygenase, FE (II) ION | Authors: | Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E. | Deposit date: | 2011-12-23 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663. Faseb J., 26, 2012
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3V98
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![BU of 3v98 by Molmil](/molmil-images/mine/3v98) | S663D Stable-5-LOX | Descriptor: | Arachidonate 5-lipoxygenase, FE (II) ION | Authors: | Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E. | Deposit date: | 2011-12-23 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663. Faseb J., 26, 2012
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8AFR
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![BU of 8afr by Molmil](/molmil-images/mine/8afr) | Pim1 in complex with 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid and Pimtide | Descriptor: | 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1 | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2022-07-18 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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4U6S
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![BU of 4u6s by Molmil](/molmil-images/mine/4u6s) | CtBP1 in complex with substrate phenylpyruvate | Descriptor: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | Deposit date: | 2014-07-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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4U6Q
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![BU of 4u6q by Molmil](/molmil-images/mine/4u6q) | CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | Descriptor: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | Deposit date: | 2014-07-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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5W87
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![BU of 5w87 by Molmil](/molmil-images/mine/5w87) | |