4Q9H
 
 | | P-glycoprotein at 3.4 A resolution | | Descriptor: | Multidrug resistance protein 1A | | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | | Deposit date: | 2014-05-01 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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2XQN
 | | Complex of the 2nd and 3rd LIM domains of TES with the EVH1 DOMAIN of MENA and the N-Terminal domain of actin-like protein Arp7A | | Descriptor: | ACTIN-LIKE PROTEIN 7A, ENABLED HOMOLOG, TESTIN, ... | | Authors: | Knowles, P.P, Briggs, D.C, Murray-Rust, J, McDonald, N.Q. | | Deposit date: | 2010-09-03 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Molecular recognition of the Tes LIM2-3 domains by the actin-related protein Arp7A.
J. Biol. Chem., 286, 2011
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4N9D
 | | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | | Deposit date: | 2013-10-20 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
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4N0R
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2XUJ
 | | CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (1 MTH) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ... | | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | | Deposit date: | 2010-10-19 | | Release date: | 2010-12-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
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2Y2V
 | | Nonaged form of Mouse Acetylcholinesterase inhibited by sarin-Update | | Descriptor: | 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-ETHOXYETHANOL, ... | | Authors: | Akfur, C, Artursson, E, Ekstrom, F. | | Deposit date: | 2010-12-16 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Methylphosphonate Adducts of Acetylcholinesterase Investigated by Time Correlated Single Photon Counting and X-Ray Crystallography
To be Published
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4N8E
 | | DPP4 complexed with compound 12a | | Descriptor: | 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2013-10-17 | | Release date: | 2014-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
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4MXT
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3A18
 | | Crystal Structure of Aldoxime Dehydratase (OxdRE) in Complex with Butyraldoxime (soaked crystal) | | Descriptor: | (1Z)-butanal oxime, Aldoxime dehydratase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sawai, H, Sugimoto, H, Kato, Y, Asano, Y, Shiro, Y, Aono, S. | | Deposit date: | 2009-03-26 | | Release date: | 2009-09-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of michaelis complex of aldoxime dehydratase
J.Biol.Chem., 284, 2009
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2ZZT
 | | Crystal structure of the cytosolic domain of the cation diffusion facilitator family protein | | Descriptor: | Putative uncharacterized protein, SULFATE ION | | Authors: | Higuchi, T, Hattori, M, Tanaka, Y, Ishitani, R, Nureki, O. | | Deposit date: | 2009-02-25 | | Release date: | 2009-08-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.842 Å) | | Cite: | Crystal structure of the cytosolic domain of the cation diffusion facilitator family protein
Proteins, 76, 2009
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3A02
 | | Crystal structure of Aristaless homeodomain | | Descriptor: | CADMIUM ION, CHLORIDE ION, Homeobox protein aristaless | | Authors: | Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M. | | Deposit date: | 2009-02-28 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
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3A0V
 | | PAS domain of histidine kinase ThkA (TM1359) (SeMet, F486M/F489M) | | Descriptor: | ETHANOL, Sensor protein | | Authors: | Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. | | Deposit date: | 2009-03-24 | | Release date: | 2009-10-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
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3A07
 | | Crystal Structure of Actinohivin; Potent anti-HIV Protein | | Descriptor: | Actinohivin, SODIUM ION | | Authors: | Tsunoda, M, Suzuki, K, Sagara, T, Takenaka, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-08-25 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Mechanism by which the lectin actinohivin blocks HIV infection of target cells
Proc.Natl.Acad.Sci.USA, 106, 2009
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3A8W
 | | Crystal Structure of PKCiota kinase domain | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Protein kinase C iota type, SULFATE ION | | Authors: | Takimura, T, Kamata, K. | | Deposit date: | 2009-10-11 | | Release date: | 2010-05-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding
Acta Crystallogr.,Sect.D, 66, 2010
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3AAA
 | | Crystal Structure of Actin capping protein in complex with V-1 | | Descriptor: | F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2, ISOPROPYL ALCOHOL, ... | | Authors: | Takeda, S, Minakata, S, Narita, A, Kitazawa, M, Yamakuni, T, Maeda, Y, Nitanai, Y. | | Deposit date: | 2009-11-12 | | Release date: | 2010-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Two distinct mechanisms for actin capping protein regulation--steric and allosteric inhibition
Plos Biol., 8, 2010
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3AED
 | | Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-phenyl-benzamide | | Descriptor: | 2-iodo-N-phenylbenzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | | Deposit date: | 2010-02-04 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.52 Å) | | Cite: | Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-phenyl-benzamide
To be Published
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3A46
 | | Crystal structure of MvNei1/THF complex | | Descriptor: | DNA, Formamidopyrimidine-DNA glycosylase, GLYCEROL | | Authors: | Imamura, K, Wallace, S, Doublie, S. | | Deposit date: | 2009-07-01 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA
J.Biol.Chem., 284, 2009
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3A0K
 | | Crystal structure of an antiflamatory legume lectin from Cymbosema roseum seeds | | Descriptor: | ALPHA-AMINOBUTYRIC ACID, CALCIUM ION, Cymbosema roseum mannose-specific lectin, ... | | Authors: | Rocha, B.A.M, Delatorre, P, Marinho, E.S, Benevides, R.G, Moura, T.R, Souza, L.A.G, Nascimento, K.S, Sampaio, A.H, Cavada, B.S. | | Deposit date: | 2009-03-20 | | Release date: | 2010-04-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for both pro- and anti-inflammatory response induced by mannose-specific legume lectin from Cymbosema roseum
Biochimie, 2011
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4PQV
 | | Crystal structure of an Xrn1-resistant RNA from the 3' untranslated region of a flavivirus (Murray Valley Encephalitis virus) | | Descriptor: | MAGNESIUM ION, XRN1-resistant flaviviral RNA | | Authors: | Chapman, E.G, Costantino, D.A, Rabe, J.L, Moon, S.L, Wilusz, J, Nix, J.C, Kieft, J.S. | | Deposit date: | 2014-03-04 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | The structural basis of pathogenic subgenomic flavivirus RNA (sfRNA) production.
Science, 344, 2014
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4PR7
 | | KdgM porin in complex with disordered oligogalacturonate | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-OCTANE, Oligogalacturonate-specific porin KdgM, ... | | Authors: | Hutter, C, Peneff, C.M, Wirth, C, Schirmer, T. | | Deposit date: | 2014-03-05 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the oligogalacturonate-specific KdgM porin.
Acta Crystallogr.,Sect.D, 70, 2014
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3A45
 | | Crystal structure of MvNei1_2 | | Descriptor: | Formamidopyrimidine-DNA glycosylase, POTASSIUM ION | | Authors: | Imamura, K, Wallace, S, Doublie, S. | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA
J.Biol.Chem., 284, 2009
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2ZZI
 | | Crystal structure of TTHA1623 in a di-iron-bound form | | Descriptor: | ACETATE ION, FE (III) ION, Metallo-beta-lactamase superfamily protein | | Authors: | Yamamura, A, Okada, A, Kameda, Y, Ohtsuka, J, Nakagawa, N, Ebihara, A, Yokoyama, S, Kuramitsu, S, Nagata, K, Tanokura, M. | | Deposit date: | 2009-02-16 | | Release date: | 2010-01-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of TTHA1623, a novel metallo-beta-lactamase superfamily protein from Thermus thermophilus HB8
Acta Crystallogr.,Sect.F, 65, 2009
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2ZXZ
 | | Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide | | Descriptor: | 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES) | | Deposit date: | 2009-01-09 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology
Chemmedchem, 4, 2009
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2ZY0
 | | Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide | | Descriptor: | 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES) | | Deposit date: | 2009-01-09 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology
Chemmedchem, 4, 2009
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2XUP
 | | CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 SYN inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ... | | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | | Deposit date: | 2010-10-19 | | Release date: | 2010-12-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
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