8E2I
 
 | | Cryo-EM structure of BIRC6/Smac | | Descriptor: | Baculoviral IAP repeat-containing protein 6, Diablo IAP-binding mitochondrial protein | | Authors: | Hunkeler, M, Fischer, E.S. | | Deposit date: | 2022-08-15 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structures of BIRC6-client complexes provide a mechanism of SMAC-mediated release of caspases.
Science, 379, 2023
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1MK1
 | | Structure of the MT-ADPRase in complex with ADPR, a Nudix enzyme | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADPR pyrophosphatase | | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | | Deposit date: | 2002-08-28 | | Release date: | 2003-08-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis
Structure, 11, 2003
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1MLX
 | | Crystal Structure Analysis of a 2'-O-[2-(Methylthio)-ethyl]-Modified Oligodeoxynucleotide Duplex | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*SMTP*AP*CP*GP*C)-3' | | Authors: | Prakash, T.P, Manoharan, M, Kawasaki, A.M, Fraser, A.S, Lesnik, E.A, Sioufi, N, Leeds, J.M, Teplova, M, Egli, M. | | Deposit date: | 2002-08-31 | | Release date: | 2002-12-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | 2'-O-[2-(Methylthio)ethyl]-Modified Oligonucleotide: An Analogue of 2'-O-[2-(Methoxy)-ethyl]-Modified
Oligonucleotide with Improved Protein Binding Properties and High Binding Affinity to Target RNA
Biochemistry, 41, 2002
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5K5S
 | | Crystal structure of the active form of human calcium-sensing receptor extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ... | | Authors: | Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
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8DS9
 | | LRRC8A:C in MSPE3D1 nanodisc top focus | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-21 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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5KCH
 | | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density | | Descriptor: | 4-methoxy-N-[(pyridin-2-yl)methyl]aniline, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, ... | | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-06 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
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8DR8
 | | LRRC8A:C conformation 2 (oblong) top mask | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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5KDL
 | | Crystal structure of the 4 alanine insertion variant of the Gi alpha1 subunit bound to GTPgammaS | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | | Deposit date: | 2016-06-08 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.665 Å) | | Cite: | A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor.
J.Biol.Chem., 291, 2016
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8DRE
 | | LRRC8A:C conformation 2 (oblong) | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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8DRK
 | | LRRC8A:C conformation 1 (round) top focus | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-21 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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8DS3
 | | LRRC8A:C conformation 1 (round) | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-21 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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8DSA
 | | LRRC8A:C in MSP1E3D1 nanodisc | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-21 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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5KCU
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, alpha-naphthyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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1MI0
 | | Crystal Structure of the redesigned protein G variant NuG2 | | Descriptor: | immunoglobulin-binding protein G | | Authors: | Nauli, S, Kuhlman, B, Le Trong, I, Stenkamp, R.E, Teller, D.C, Baker, D. | | Deposit date: | 2002-08-21 | | Release date: | 2002-09-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures and increased stabilization of the protein G variants with switched folding pathways NuG1 and NuG2
Biochemistry, 11, 2002
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1MJE
 | | STRUCTURE OF A BRCA2-DSS1-SSDNA COMPLEX | | Descriptor: | 5'-D(P*TP*TP*TP*TP*TP*T)-3', Deleted in split hand/split foot protein 1, breast cancer 2 | | Authors: | Yang, H, Jeffrey, P.D, Miller, J, Kinnucan, E, Sun, Y, Thoma, N.H, Zheng, N, Chen, P.L, Lee, W.H, Pavletich, N.P. | | Deposit date: | 2002-08-27 | | Release date: | 2002-09-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | BRCA2 function in DNA binding and recombination from a BRCA2-DSS1-ssDNA structure.
Science, 297, 2002
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5KH6
 | | SETDB1 in complex with a fragment candidate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Walker, J.R, Harding, R.J, Mader, P, Dobrovetsky, E, Dong, A, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Brown, P.J, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-09-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | SETDB1 in complex with a fragment candidate
To be published
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1MLA
 | | THE ESCHERICHIA COLI MALONYL-COA:ACYL CARRIER PROTEIN TRANSACYLASE AT 1.5-ANGSTROMS RESOLUTION. CRYSTAL STRUCTURE OF A FATTY ACID SYNTHASE COMPONENT | | Descriptor: | MALONYL-COENZYME A ACYL CARRIER PROTEIN TRANSACYLASE | | Authors: | Serre, L, Verbree, E.C, Dauter, Z, Stuitje, A.R, Derewenda, Z.S. | | Deposit date: | 1995-01-25 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Escherichia coli malonyl-CoA:acyl carrier protein transacylase at 1.5-A resolution. Crystal structure of a fatty acid synthase component.
J.Biol.Chem., 270, 1995
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1MP2
 | | Structure of MT-ADPRase (Apoenzyme), a Nudix hydrolase from Mycobacterium tuberculosis | | Descriptor: | ADPR pyrophosphatase | | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | | Deposit date: | 2002-09-11 | | Release date: | 2003-08-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis
Structure, 11, 2003
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1MQE
 | | Structure of the MT-ADPRase in complex with gadolidium and ADP-ribose, a Nudix enzyme | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADPR pyrophosphatase, GADOLINIUM ION | | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | | Deposit date: | 2002-09-16 | | Release date: | 2003-08-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis
Structure, 11, 2003
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5K9H
 | | Crystal structure of a glycoside hydrolase 29 family member from an unknown rumen bacterium | | Descriptor: | 0940_GH29, GLYCEROL, SODIUM ION, ... | | Authors: | Summers, E.L, Arcus, V.L. | | Deposit date: | 2016-05-31 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.029 Å) | | Cite: | The structure of a glycoside hydrolase 29 family member from a rumen bacterium reveals unique, dual carbohydrate-binding domains.
Acta Crystallogr.,Sect.F, 72, 2016
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5KCD
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl Substituted OBHS-N derivative | | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-06 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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1LXL
 | | NMR STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL DEATH, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BCL-XL | | Authors: | Muchmore, S.W, Sattler, M, Liang, H, Meadows, R.P, Harlan, J.E, Yoon, H.S, Nettesheim, D, Chang, B.S, Thompson, C.B, Wong, S.L, Ng, S.C, Fesik, S.W. | | Deposit date: | 1996-04-04 | | Release date: | 1997-04-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | X-ray and NMR structure of human Bcl-xL, an inhibitor of programmed cell death.
Nature, 381, 1996
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8E15
 | | A computationally stabilized hMPV F protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F1 protein with Fibritin peptide, F2 protein, ... | | Authors: | Huang, J, Gonzalez, K, Mousa, J, Strauch, E. | | Deposit date: | 2022-08-09 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A general computational design strategy for stabilizing viral class I fusion proteins.
Biorxiv, 2023
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1MNT
 | | SOLUTION STRUCTURE OF DIMERIC MNT REPRESSOR (1-76) | | Descriptor: | MNT REPRESSOR | | Authors: | Burgering, M.J.M, Boelens, R, Gilbert, D.E, Breg, J.N, Knight, K.L, Sauer, R.T, Kaptein, R. | | Deposit date: | 1994-06-28 | | Release date: | 1994-09-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of dimeric Mnt repressor (1-76).
Biochemistry, 33, 1994
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5KCO
 | | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy | | Descriptor: | DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-06 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
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