5DDP
 
 | | L-glutamine riboswitch bound with L-glutamine | | Descriptor: | GLUTAMINE, MAGNESIUM ION, RNA (61-MER), ... | | Authors: | Ren, A, Patel, D.J. | | Deposit date: | 2015-08-25 | | Release date: | 2015-12-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
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3SEK
 | | Crystal Structure of the Myostatin:Follistatin-like 3 Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Follistatin-related protein 3, Growth/differentiation factor 8 | | Authors: | Cash, J.N, Thompson, T.B. | | Deposit date: | 2011-06-10 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structure of myostatinfollistatin-like 3: N-terminal domains of follistatin-type molecules exhibit alternate modes of binding.
J.Biol.Chem., 287, 2012
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7RQZ
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 48 degrees Celsius, in an open state, class alpha | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ... | | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | | Deposit date: | 2021-08-08 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
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7RQY
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an open state, class B | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ... | | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | | Deposit date: | 2021-08-08 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
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7RQX
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an intermediate-open state, class A | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | | Deposit date: | 2021-08-08 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
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7RQU
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in a closed state, class I | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, SODIUM ION, ... | | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | | Deposit date: | 2021-08-08 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
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7RQW
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an open state, class III | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | | Deposit date: | 2021-08-08 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
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7RQV
 | | Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an intermediate-closed state, class II | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | | Deposit date: | 2021-08-08 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
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4LFU
 | | Crystal structure of Escherichia coli SdiA in the space group C2 | | Descriptor: | CHLORIDE ION, Regulatory protein SdiA, TETRAETHYLENE GLYCOL | | Authors: | Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K. | | Deposit date: | 2013-06-27 | | Release date: | 2014-03-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor
Acta Crystallogr.,Sect.D, 70, 2014
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7PJK
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with a benzotriazole analog of thalidomide | | Descriptor: | (3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION | | Authors: | Heim, C, Hartmann, M.D, Maiwald, S. | | Deposit date: | 2021-08-24 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Replacing the phthalimide core in thalidomide with benzotriazole.
J Enzyme Inhib Med Chem, 37, 2022
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5LO6
 | | HSP90 WITH indazole derivative | | Descriptor: | 3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Graedler, U, Amaral, M. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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5DDO
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5LO5
 | | HSP90 WITH indole derivative | | Descriptor: | 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile, Heat shock protein HSP 90-alpha | | Authors: | Graedler, U, Amaral, M. | | Deposit date: | 2016-08-08 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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4GBV
 | | Crystal Structure of AMP complexes of Porcine Liver Fructose-1,6-bisphosphatase Mutant A54L with 1,2-ethanediol as Cryo-protectant | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Honzatko, R.B, Gao, Y. | | Deposit date: | 2012-07-28 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Water Structure of the Central Hydrophobic Cavity of Mammalian Fructose-1,6-bisphosphatase: a Potential Thermodynamic Determinant of Allowed Quaternary States
To be published
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5LLP
 | | Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2016-07-28 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
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3I57
 | | Type 2 repeat of the mucus binding protein MUB from Lactobacillus reuteri | | Descriptor: | CALCIUM ION, Mucus binding protein | | Authors: | Hemmings, A.M, MacKenzie, D.A, Tailford, L.E, Juge, N. | | Deposit date: | 2009-07-03 | | Release date: | 2009-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a mucus binding protein repeat reveals an unexpected functional immunoglobulin binding activity.
J.Biol.Chem., 284, 2009
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4ROJ
 | | Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide | | Descriptor: | Guanine nucleotide exchange factor VAV2, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION | | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-10-28 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide
TO BE PUBLISHED
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2GOO
 | | Ternary Complex of BMP-2 bound to BMPR-Ia-ECD and ActRII-ECD | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Activin receptor type 2A, Bone morphogenetic protein 2, ... | | Authors: | Allendorph, G.P, Choe, S. | | Deposit date: | 2006-04-13 | | Release date: | 2006-05-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the ternary signaling complex of a TGF-beta superfamily member.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4NWL
 | | Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide | | Descriptor: | HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION | | Authors: | Muckelbauer, J.K, Klei, H.E. | | Deposit date: | 2013-12-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
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7DEQ
 | | Lysozyme-sugar complex in D2O | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Tanaka, I, Chatake, T. | | Deposit date: | 2020-11-04 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
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7DER
 | | Lysozyme alone in H2O | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Tanaka, I, Chatake, T. | | Deposit date: | 2020-11-04 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
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4Q0Q
 | | Crystal structure of Acinetobacter sp. DL28 L-ribose isomerase in complex with L-ribulose | | Descriptor: | COBALT (II) ION, COBALT HEXAMMINE(III), L-Ribose isomerase, ... | | Authors: | Yoshida, H, Yoshihara, A, Teraoka, M, Izumori, K, Kamitori, S. | | Deposit date: | 2014-04-02 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | X-ray structure of a novel L-ribose isomerase acting on a non-natural sugar L-ribose as its ideal substrate.
Febs J., 281, 2014
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4Q0U
 | | Crystal structure of Acinetobacter sp. DL28 L-ribose isomerase mutant E204Q in complex with L-ribose | | Descriptor: | COBALT (II) ION, COBALT HEXAMMINE(III), L-Ribose isomerase, ... | | Authors: | Yoshida, H, Yoshihara, A, Teraoka, M, Izumori, K, Kamitori, S. | | Deposit date: | 2014-04-02 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | X-ray structure of a novel L-ribose isomerase acting on a non-natural sugar L-ribose as its ideal substrate.
Febs J., 281, 2014
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4HIB
 | | Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N4-OH | | Descriptor: | CHLORIDE ION, GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ... | | Authors: | To, T.K, Kotra, L.P, Pai, E.F. | | Deposit date: | 2012-10-11 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist.
J.Med.Chem., 55, 2012
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3H0J
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