5CZH
 
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4O2G
 | | Crystal structure of carbomonoxy murine neuroglobin mutant V140W | | Descriptor: | CARBON MONOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Avella, G, Savino, C, Vallone, B. | | Deposit date: | 2013-12-17 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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5EGM
 | | Development of a novel tricyclic class of potent and selective FIXa inhibitors | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | | Deposit date: | 2015-10-27 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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4NZI
 | | Crystal structure of murine neuroglobin mutant V140W | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Avella, G, Savino, C, Vallone, B. | | Deposit date: | 2013-12-12 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4O35
 | | Crystal structure of carbomonoxy murine neuroglobin mutant F106W | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CARBON MONOXIDE, Neuroglobin, ... | | Authors: | Avella, G, Savino, C, Vallone, B. | | Deposit date: | 2013-12-18 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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5EK3
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | | Descriptor: | (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Peng, Y.H, Wu, J.S, Wu, S.Y. | | Deposit date: | 2015-11-03 | | Release date: | 2015-12-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1
J.Med.Chem., 59, 2016
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4QKO
 | | The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms | | Descriptor: | BROMIDE ION, MAGNESIUM ION, Pyocin-S2, ... | | Authors: | Grinter, R, Josts, I, Roszak, A.W, Cogdell, C.J, Walker, D. | | Deposit date: | 2014-06-07 | | Release date: | 2015-06-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights into pyocin S2
To be Published
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5EK4
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | | Descriptor: | (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wu, S.Y, Peng, Y.H, Wu, J.S. | | Deposit date: | 2015-11-03 | | Release date: | 2015-12-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1
J.Med.Chem., 59, 2016
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5EKZ
 | | Crystal structure of mouse Taco1 | | Descriptor: | Translational activator of cytochrome c oxidase 1 | | Authors: | Spahr, H, Richman, T.R, Larsson, N.G, Rackham, O, Filipovska, A. | | Deposit date: | 2015-11-04 | | Release date: | 2016-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Loss of the RNA-binding protein TACO1 causes late-onset mitochondrial dysfunction in mice.
Nat Commun, 7, 2016
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4N59
 | | The Crystal Structure of Pectocin M2 at 2.3 Angstroms | | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, Pectocin M2, ... | | Authors: | Zeth, K, Grinter, R, Roszak, A.W, Cogdell, R.J, Walker, D. | | Deposit date: | 2013-10-09 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the atypical bacteriocin pectocin M2 implies a novel mechanism of protein uptake.
Mol.Microbiol., 93, 2014
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5CZI
 | | EGFR L858R MUTANT IN COMPLEX WITH A SHC PEPTIDE SUBSTRATE | | Descriptor: | Epidermal growth factor receptor, SHC Peptide substrate | | Authors: | Yun, C.H, Eck, M.J. | | Deposit date: | 2015-07-31 | | Release date: | 2015-09-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | EGF-receptor specificity for phosphotyrosine-primed substrates provides signal integration with Src.
Nat.Struct.Mol.Biol., 22, 2015
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4O1P
 | | Crystal Structure of RNase L in complex with 2-5A and AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribonuclease L, ... | | Authors: | Huang, H, Zeqiraj, E, Ceccarelli, D.F, Sicheri, F. | | Deposit date: | 2013-12-16 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dimeric structure of pseudokinase RNase L bound to 2-5A reveals a basis for interferon-induced antiviral activity.
Mol.Cell, 53, 2014
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5EK2
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | | Descriptor: | 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Peng, Y.H, Wu, J.S, Wu, S.Y. | | Deposit date: | 2015-11-03 | | Release date: | 2015-12-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1
J.Med.Chem., 59, 2016
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5EW5
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5DYV
 | | AbyU - wildtype | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, YD repeat-containing protein | | Authors: | Race, P.R, Byrne, M.J. | | Deposit date: | 2015-09-25 | | Release date: | 2016-06-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Catalytic Mechanism of a Natural Diels-Alderase Revealed in Molecular Detail.
J.Am.Chem.Soc., 138, 2016
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4N58
 | | Crystal Structure of Pectocin M2 at 1.86 Angstroms | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Grinter, R, Roszak, A.W, Zeth, K, Cogdell, C.J, Walker, D. | | Deposit date: | 2013-10-09 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure of the atypical bacteriocin pectocin M2 implies a novel mechanism of protein uptake.
Mol.Microbiol., 93, 2014
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4N7E
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469 | | Descriptor: | 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2013-10-15 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.
Bioorg.Med.Chem.Lett., 24, 2014
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5ETW
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | | Descriptor: | (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wu, S.Y, Peng, Y.H, Wu, J.S. | | Deposit date: | 2015-11-18 | | Release date: | 2016-02-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1.
J.Med.Chem., 59, 2016
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7DWC
 | | Bacteroides thetaiotaomicron VPI5482 BTAxe1 | | Descriptor: | Xylanase | | Authors: | Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C. | | Deposit date: | 2021-01-17 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron.
J.Agric.Food Chem., 69, 2021
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4P27
 | | Structure of Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Venom allergen-like (VAL) 4 protein | | Authors: | Asojo, O.A. | | Deposit date: | 2014-03-02 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) is a novel lipid-binding SCP/TAPS protein that lacks the prototypical CAP motifs.
Acta Crystallogr.,Sect.D, 70, 2014
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4PPB
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4PPC
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4PPA
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1WBT
 | | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | | Descriptor: | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | | Deposit date: | 2004-11-05 | | Release date: | 2005-11-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
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2R26
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