7AKK
| Structure of a complement factor-receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | Authors: | Fernandez, F.J, Santos-Lopez, J, Martinez-Barricarte, R, Querol-Garcia, J, Navas-Yuste, S, Savko, M, Shepard, W.E, Rodriguez de Cordoba, S, Vega, M.C. | Deposit date: | 2020-10-01 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.395 Å) | Cite: | The crystal structure of iC3b-CR3 alpha I reveals a modular recognition of the main opsonin iC3b by the CR3 integrin receptor Nat Commun, 13, 2022
|
|
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: | 2023-08-09 | 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
|
|
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
|
|
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
|
|
4SDH
| |
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: | 2023-08-09 | 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
|
|
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
|
|
7HBI
| SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-25 | Release date: | 1998-11-11 | Last modified: | 2023-08-09 | 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
|
|
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
|
|
5T25
| Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli. | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, SODIUM ION | Authors: | Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P. | Deposit date: | 2016-08-23 | Release date: | 2017-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli. To Be Published
|
|
5T26
| Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli. | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P. | Deposit date: | 2016-08-23 | Release date: | 2016-10-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli. To Be Published
|
|
3SDH
| |
1CDM
| |
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
|
|
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
|
|
3LHB
| |
7L4L
| Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, SODIUM ION, ... | Authors: | Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P. | Deposit date: | 2020-12-19 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases Acs Catalysis, 11, 2021
|
|
7L4E
| Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16:1-crypto Acyl Carrier Protein, AcpP | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, ... | Authors: | Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P. | Deposit date: | 2020-12-18 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases Acs Catalysis, 11, 2021
|
|
6HBW
| |
2Z8A
| Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: I25W with CO Bound to HEME and in the Presence of 3 Atoms of XE | Descriptor: | CARBON MONOXIDE, Globin-1, PHOSPHATE ION, ... | Authors: | Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U. | Deposit date: | 2007-09-04 | Release date: | 2007-11-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis Biochemistry, 46, 2007
|
|
2ZGA
| HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (hexagonal space group) | Descriptor: | (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, Protease | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2008-01-21 | Release date: | 2009-02-03 | 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
|
|
2Z85
| Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F 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: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis Biochemistry, 46, 2007
|
|
3BGC
| HIV-1 protease in complex with a benzyl decorated oligoamine | Descriptor: | CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide), Protease | Authors: | Boettcher, J, Blum, A, Sammet, B, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-11-26 | Release date: | 2008-09-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors Bioorg.Med.Chem., 16, 2008
|
|
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
|
|
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
|
|