6R49
 
 | | Aurora-A in complex with shape-diverse fragment 39 | | Descriptor: | (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2019-03-22 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
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6R4C
 | | Aurora-A in complex with shape-diverse fragment 57 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2019-03-22 | | Release date: | 2019-05-01 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
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6R4B
 | | Aurora-A in complex with shape-diverse fragment 56 | | Descriptor: | (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2019-03-22 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
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1ILV
 | | Crystal Structure Analysis of the TM107 | | Descriptor: | STATIONARY-PHASE SURVIVAL PROTEIN SURE HOMOLOG | | Authors: | Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Beasley, S, Evdokimova, E, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2001-05-08 | | Release date: | 2001-10-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Thermotoga maritima stationary phase survival protein SurE: a novel acid phosphatase.
Structure, 9, 2001
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1P99
 | | 1.7A crystal structure of protein PG110 from Staphylococcus aureus | | Descriptor: | GLYCINE, Hypothetical protein PG110, METHIONINE | | Authors: | Zhang, R, Zhou, M, Joachimiak, G, Schneewind, O, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-05-09 | | Release date: | 2004-01-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The membrane-associated lipoprotein-9 GmpC from Staphylococcus aureus binds the dipeptide GlyMet via side chain interactions.
Biochemistry, 43, 2004
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1L3L
 | | Crystal structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA | | Descriptor: | 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, 5'-D(*GP*AP*TP*GP*TP*GP*CP*AP*GP*AP*TP*CP*TP*GP*CP*AP*CP*AP*TP*C)-3', Transcriptional activator protein traR | | Authors: | Zhang, R, Pappas, T, Brace, J.L, Miller, P.C, Oulmassov, T, Molyneaux, J.M, Anderson, J.C, Bashkin, J.K, Winans, S.C, Joachimiak, A. | | Deposit date: | 2002-02-27 | | Release date: | 2002-07-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA.
Nature, 417, 2002
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1YWQ
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3LMB
 | | The crystal structure of the protein OLEI01261 with unknown function from Chlorobaculum tepidum TLS | | Descriptor: | Uncharacterized protein | | Authors: | Zhang, R, Evdokimova, E, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-29 | | Release date: | 2010-03-16 | | Last modified: | 2013-08-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
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3G9K
 | | Crystal structure of Bacillus anthracis transpeptidase enzyme CapD | | Descriptor: | Capsule biosynthesis protein capD, GLUTAMIC ACID | | Authors: | Zhang, R, Wu, R, Richter, S, Anderson, V.J, Missiakas, D, Joachimiak, A. | | Deposit date: | 2009-02-13 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal Structure of Bacillus anthracis Transpeptidase Enzyme CapD.
J.Biol.Chem., 284, 2009
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3GA9
 | | Crystal structure of Bacillus anthracis transpeptidase enzyme CapD, crystal form II | | Descriptor: | Capsule biosynthesis protein capD, GLUTAMIC ACID | | Authors: | Zhang, R, Wu, R, Richter, S, Anderson, V.J, Missiakas, D, Joachimiak, A. | | Deposit date: | 2009-02-16 | | Release date: | 2009-06-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Bacillus anthracis Transpeptidase Enzyme CapD.
J.Biol.Chem., 284, 2009
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3SWJ
 | | Crystal structure of Campylobacter jejuni ChuZ | | Descriptor: | AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein | | Authors: | Hu, Y. | | Deposit date: | 2011-07-14 | | Release date: | 2011-11-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.409 Å) | | Cite: | Crystal structure of Campylobacter jejuni ChuZ: a split-barrel family heme oxygenase with a novel heme-binding mode.
Biochem.Biophys.Res.Commun., 415, 2011
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3NRV
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8I7X
 | | Crystal structure of human ClpP in complex with ZG36 | | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2023-02-02 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
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7CBQ
 | | Crystal structure of PDE4D catalytic domain in complex with Apremilast | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ... | | Authors: | Zhang, X.L, Xu, Y.C. | | Deposit date: | 2020-06-13 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
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7CBJ
 | | Crystal structure of PDE4D catalytic domain in complex with compound 36 | | Descriptor: | (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Xu, Y.C. | | Deposit date: | 2020-06-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
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7EAU
 | | SIB1, an effector of Colletotrichum orbiculare | | Descriptor: | SIN1 | | Authors: | Mori, M, Ohki, S, Kurita, J. | | Deposit date: | 2021-03-08 | | Release date: | 2021-11-03 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Fungal effector SIB1 of Colletotrichum orbiculare has unique structural features and can suppress plant immunity in Nicotiana benthamiana.
J.Biol.Chem., 297, 2021
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7VEG
 | | Understanding NH-pi interaction between Gln and Phe | | Descriptor: | peptide, ACETYLAMINO-ACETIC ACID | | Authors: | Fan, S, Xu, F. | | Deposit date: | 2021-09-08 | | Release date: | 2022-10-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural Achievability of an NH-pi Interaction between Gln and Phe in a Crystal Structure of a Collagen-like Peptide.
Biomolecules, 12, 2022
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2RG5
 | | Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B | | Descriptor: | Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | | Authors: | Sack, J.S. | | Deposit date: | 2007-10-02 | | Release date: | 2008-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
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6JRK
 | | The structure of co-crystals of 8r-B-EGFR WT complex | | Descriptor: | 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor | | Authors: | Zhu, S.J, Yun, C.H. | | Deposit date: | 2019-04-04 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
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6JRJ
 | | The structure of co-crystals of 8r-B-EGFR T790M/C797S complex | | Descriptor: | 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor | | Authors: | Zhu, S.J, Yun, C.H. | | Deposit date: | 2019-04-04 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.943 Å) | | Cite: | Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
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3KDU
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3KDT
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5H65
 | | Crystal structure of human POT1 and TPP1 | | Descriptor: | Adrenocortical dysplasia protein homolog, Protection of telomeres protein 1, ZINC ION | | Authors: | Chen, C, Wu, J, Lei, M. | | Deposit date: | 2016-11-10 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into POT1-TPP1 interaction and POT1 C-terminal mutations in human cancer.
Nat Commun, 8, 2017
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5ZYS
 | | Structure of Nephrin/MAGI1 complex | | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, Nephrin | | Authors: | Weng, Z.F, Shng, Y, Zhu, J.W, Zhang, R.G. | | Deposit date: | 2018-05-28 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural Basis of Highly Specific Interaction between Nephrin and MAGI1 in Slit Diaphragm Assembly and Signaling.
J. Am. Soc. Nephrol., 29, 2018
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6A68
 | | the crystal structure of rat calcium-dependent activator protein for secretion (CAPS) DAMH domain | | Descriptor: | Calcium-dependent secretion activator 1, POTASSIUM ION | | Authors: | Zhou, H, Wei, Z.Q, Yao, D.Q, Zhang, R.G, Ma, C. | | Deposit date: | 2018-06-26 | | Release date: | 2019-03-13 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | Structural and Functional Analysis of the CAPS SNARE-Binding Domain Required for SNARE Complex Formation and Exocytosis.
Cell Rep, 26, 2019
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