1MQ9
| Crystal structure of high affinity alphaL I domain with ligand mimetic crystal contact | Descriptor: | Integrin alpha-L, MANGANESE (II) ION | Authors: | Shimaoka, M, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, McCormack, A, Zhang, R, Joachimiak, A, Takagi, J, Wang, J.-H, Springer, T.A. | Deposit date: | 2002-09-15 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation Cell(Cambridge,Mass.), 112, 2003
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3PY1
| CDK2 ternary complex with SU9516 and ANS | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ... | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | Deposit date: | 2010-12-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2. Acs Chem.Biol., 6, 2011
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7XZO
| Formate-tetrahydrofolate ligase in complex with ATP | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Formate--tetrahydrofolate ligase, ... | Authors: | Fang, C.L, Zhang, Y. | Deposit date: | 2022-06-03 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Identification of FtfL as a novel target of berberine in intestinal bacteria. Bmc Biol., 21, 2023
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7XZN
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7XZP
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3EJE
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2LTX
| Smurf1 WW2 domain in complex with a Smad7 derived peptide | Descriptor: | E3 ubiquitin-protein ligase SMURF1, Smad7 derived peptide | Authors: | Macias, M.J, Aragon, E, Goerner, N, Xi, Q, Lopes, T, Gao, S, Massague, J. | Deposit date: | 2012-06-04 | Release date: | 2012-11-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Basis for the Versatile Interactions of Smad7 with Regulator WW Domains in TGF-beta Pathways. Structure, 20, 2012
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2LTZ
| Smurf2 WW3 domain in complex with a Smad7 derived peptide | Descriptor: | E3 ubiquitin-protein ligase SMURF2, Smad7 derived peptide | Authors: | Macias, M.J, Aragon, E, Goerner, N, Xi, Q, Lopes, T, Gao, S, Massague, J. | Deposit date: | 2012-06-04 | Release date: | 2012-11-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Basis for the Versatile Interactions of Smad7 with Regulator WW Domains in TGF-beta Pathways. Structure, 20, 2012
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1A4R
| G12V MUTANT OF HUMAN PLACENTAL CDC42 GTPASE IN THE GDP FORM | Descriptor: | AMINOPHOSPHONIC ACID-GUANYLATE ESTER, G25K GTP-BINDING PROTEIN, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Rudolph, M.G, Vetter, I.R, Wittinghofer, A. | Deposit date: | 1998-02-02 | Release date: | 1999-03-02 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nucleotide binding to the G12V-mutant of Cdc42 investigated by X-ray diffraction and fluorescence spectroscopy: two different nucleotide states in one crystal. Protein Sci., 8, 1999
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3LSX
| Piracetam bound to the ligand binding domain of GluA3 | Descriptor: | 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, GluA3 S1S2 domain, ... | Authors: | Ahmed, A.H, Oswald, R.E. | Deposit date: | 2010-02-13 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors. J.Med.Chem., 53, 2010
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3LSF
| Piracetam bound to the ligand binding domain of GluA2 | Descriptor: | 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, Glutamate receptor 2, ... | Authors: | Ahmed, A.H, Ptak, C.P, Oswald, R.E. | Deposit date: | 2010-02-12 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors. J.Med.Chem., 53, 2010
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3LSL
| Piracetam bound to the ligand binding domain of GluA2 (flop form) | Descriptor: | 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, Glutamate receptor 2, ... | Authors: | Ahmed, A.H, Oswald, R.E. | Deposit date: | 2010-02-12 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.122 Å) | Cite: | Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors. J.Med.Chem., 53, 2010
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7AYG
| oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ... | Authors: | Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J. | Deposit date: | 2020-11-12 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism. Acs Catalysis, 11, 2021
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7B2E
| quadruple mutant of oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ... | Authors: | Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J. | Deposit date: | 2020-11-26 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism. Acs Catalysis, 11, 2021
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4HRT
| Scapharca tetrameric hemoglobin, unliganded | Descriptor: | Globin-2 A chain, Hemoglobin B chain, PHOSPHATE ION, ... | Authors: | Royer, W.E. | Deposit date: | 2012-10-28 | Release date: | 2012-12-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis. Biochemistry, 52, 2013
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6JHC
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6BDE
| Crystal structure of Fe(II) unliganded H-NOX protein mutant A71G from K. algicida | Descriptor: | 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bruegger, J.J, Hespen, C.W, Marletta, M.A. | Deposit date: | 2017-10-22 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Native Alanine Substitution in the Glycine Hinge Modulates Conformational Flexibility of Heme Nitric Oxide/Oxygen (H-NOX) Sensing Proteins. ACS Chem. Biol., 13, 2018
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5IXT
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1K5C
| Endopolygalacturonase I from Stereum purpureum at 0.96 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... | Authors: | Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H. | Deposit date: | 2001-10-10 | Release date: | 2002-06-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution. Biochemistry, 41, 2002
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6BDD
| Crystal structure of Fe(II) unliganded H-NOX protein from K. algicida | Descriptor: | 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bruegger, J.J, Hespen, C.W, Marletta, M.A. | Deposit date: | 2017-10-22 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Native Alanine Substitution in the Glycine Hinge Modulates Conformational Flexibility of Heme Nitric Oxide/Oxygen (H-NOX) Sensing Proteins. ACS Chem. Biol., 13, 2018
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6BWV
| Crystal Structure of the 4-1BB/4-1BBL Complex | Descriptor: | DI(HYDROXYETHYL)ETHER, Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor receptor superfamily member 9 | Authors: | Oganesyan, V, Gilbreth, R.N, Baca, M. | Deposit date: | 2017-12-15 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human 4-1BB/4-1BBL complex. J. Biol. Chem., 293, 2018
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1APB
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3WCR
| Crystal structure of plant lectin (ligand-free form) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Erythroagglutinin | Authors: | Nagae, M, Yamaguchi, Y. | Deposit date: | 2013-05-31 | Release date: | 2014-04-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold Glycobiology, 24, 2014
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1ABT
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6HHF
| Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | Descriptor: | Borussertib, RAC-alpha serine/threonine-protein kinase | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
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