5TOZ
| JAK3 with covalent inhibitor PF-06651600 | Descriptor: | 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-10-19 | Release date: | 2016-11-09 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition. ACS Chem. Biol., 11, 2016
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5TTU
| Jak3 with covalent inhibitor 7 | Descriptor: | 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-11-04 | Release date: | 2017-02-22 | Last modified: | 2017-03-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5TTS
| Jak3 with covalent inhibitor 4 | Descriptor: | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-11-04 | Release date: | 2017-02-22 | Last modified: | 2017-03-22 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5TTV
| Jak3 with covalent inhibitor 6 | Descriptor: | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-11-04 | Release date: | 2017-02-22 | Last modified: | 2017-03-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5U3B
| Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Sprague, E.R. | Deposit date: | 2016-12-01 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC. J. Med. Chem., 60, 2017
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3GZN
| Structure of NEDD8-activating enzyme in complex with NEDD8 and MLN4924 | Descriptor: | NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ... | Authors: | Sintchak, M.D. | Deposit date: | 2009-04-07 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Substrate-assisted inhibition of ubiquitin-like protein-activating enzymes: the NEDD8 E1 inhibitor MLN4924 forms a NEDD8-AMP mimetic in situ. Mol.Cell, 37, 2010
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3H4N
| PpcD, A cytochrome c7 from Geobacter sulfurreducens | Descriptor: | Cytochrome c7, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2009-04-20 | Release date: | 2009-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural characterization of a family of cytochromes c(7) involved in Fe(III) respiration by Geobacter sulfurreducens. Biochim.Biophys.Acta, 1797, 2010
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6AGJ
| Crystal Structure of EFHA2 in Apo State | Descriptor: | Calcium uptake protein 3, mitochondrial | Authors: | Yangfei, X, Xue, Y, Yuequan, S. | Deposit date: | 2018-08-11 | Release date: | 2019-01-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.999 Å) | Cite: | Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter. Cell Rep, 26, 2019
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3H33
| PpcC, A cytochrome c7 from Geobacter sulfurreducens | Descriptor: | Cytochrome c7, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2009-04-15 | Release date: | 2009-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural characterization of a family of cytochromes c(7) involved in Fe(III) respiration by Geobacter sulfurreducens. Biochim.Biophys.Acta, 1797, 2010
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3H34
| PpcE, A cytochrome c7 from Geobacter sulfurreducens | Descriptor: | Cytochrome c7, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2009-04-15 | Release date: | 2009-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural characterization of a family of cytochromes c(7) involved in Fe(III) respiration by Geobacter sulfurreducens. Biochim.Biophys.Acta, 1797, 2010
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6J18
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-5 secretion system protein EccC5, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2018-12-28 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6J19
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESAT-6-like protein EsxB, ESX-1 secretion system protein EccCb1, ... | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2018-12-28 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6JD5
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX conserved component EccC2. ESX-2 type VII secretion system protein. Possible membrane protein, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2019-01-31 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6J17
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-3 secretion system protein EccC3, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2018-12-28 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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6AGI
| Crystal Structure of EFHA2 in Ca-binding State | Descriptor: | CALCIUM ION, Calcium uptake protein 3, mitochondrial, ... | Authors: | Yangfei, X, Xue, Y, Yuequan, S. | Deposit date: | 2018-08-11 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter. Cell Rep, 26, 2019
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6JD4
| ATPase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-1 secretion system protein EccCb1, MAGNESIUM ION | Authors: | Wang, S.H, Li, J, Rao, Z.H. | Deposit date: | 2019-01-31 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into substrate recognition by the type VII secretion system. Protein Cell, 11, 2020
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7E5Y
| Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD | Descriptor: | 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1 | Authors: | Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M. | Deposit date: | 2021-02-21 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries. Cell Discov, 7, 2021
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7C2K
| COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ... | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | Deposit date: | 2020-05-07 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase. Cell, 182, 2020
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3OUQ
| Structure of N-terminal hexaheme fragment of GSU1996 | Descriptor: | Cytochrome c family protein, HEME C | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2010-09-15 | Release date: | 2010-12-29 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of a novel dodecaheme cytochrome c from Geobacter sulfurreducens reveals an extended 12nm protein with interacting hemes. J.Struct.Biol., 174, 2011
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3OV0
| Structure of dodecaheme cytochrome c GSU1996 | Descriptor: | Cytochrome c family protein, HEME C | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2010-09-15 | Release date: | 2010-12-29 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of a novel dodecaheme cytochrome c from Geobacter sulfurreducens reveals an extended 12nm protein with interacting hemes. J.Struct.Biol., 174, 2011
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3OUE
| Structure of C-terminal hexaheme fragment of GSU1996 | Descriptor: | Cytochrome c family protein, HEME C, SULFATE ION | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2010-09-14 | Release date: | 2010-12-29 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of a novel dodecaheme cytochrome c from Geobacter sulfurreducens reveals an extended 12nm protein with interacting hemes. J.Struct.Biol., 174, 2011
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7VAH
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5AYW
| Structure of a membrane complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Huang, Y, Han, L, Zheng, J. | Deposit date: | 2015-09-14 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.555 Å) | Cite: | Structure of the BAM complex and its implications for biogenesis of outer-membrane proteins Nat.Struct.Mol.Biol., 23, 2016
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7F3B
| cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | Descriptor: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | Authors: | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | Deposit date: | 2021-06-16 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates. Eur.J.Med.Chem., 228, 2022
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3SJ1
| PpcA M58D mutant | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CYTOCHROME C7, HEME C, ... | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2011-06-20 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pitfalls in the interpretation of structural changes in mutant proteins from crystal structures. J.Struct.Funct.Genom., 13, 2012
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