6QEN
 
 | | Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC240 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ... | | Authors: | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | | Deposit date: | 2019-01-08 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.195 Å) | | Cite: | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
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6KLE
 | | Monomeric structure of Machupo virus polymerase bound to vRNA promoter | | Descriptor: | MANGANESE (II) ION, RNA (5'-R(*GP*CP*CP*UP*AP*GP*GP*AP*UP*CP*CP*AP*CP*UP*GP*UP*GP*CP*G)-3'), RNA-directed RNA polymerase L, ... | | Authors: | Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y. | | Deposit date: | 2019-07-30 | | Release date: | 2020-03-18 | | Last modified: | 2021-12-08 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural insight into arenavirus replication machinery.
Nature, 579, 2020
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6QK4
 | | Lytic transglycosylase, LtgG, of Burkholderia pseudomallei. | | Descriptor: | Membrane-bound lytic murein transglycosylase A | | Authors: | Jenkins, C.H, Wallis, R, Allcock, N, Barnes, K.B, Richards, M.I, Auty, J.M, Galyov, E.E, Harding, S.V, Mukamolova, G.V. | | Deposit date: | 2019-01-28 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The lytic transglycosylase, LtgG, controls cell morphology and virulence in Burkholderia pseudomallei.
Sci Rep, 9, 2019
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6KB4
 | | X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by delipidation and cross-seeding | | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | | Deposit date: | 2019-06-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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6QFM
 | | Structure of human Mcl-1 in complex with PUMA BH3 peptide | | Descriptor: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QGH
 | | Structure of human Bcl-2 in complex with ABT-263 | | Descriptor: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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4U8O
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A complexed with UDP | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
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6QGJ
 | | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | | Descriptor: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6KFQ
 | | Crystal structure of thermophilic rhodopsin from Rubrobacter xylanophilus | | Descriptor: | RETINAL, Rhodopsin, SULFATE ION, ... | | Authors: | Suzuki, K, Akiyama, T, Hayashi, T, Yasuda, S, Kanehara, K, Kojima, K, Tanabe, M, Kato, R, Senda, T, Sudo, Y, Kinoshita, M, Murata, T. | | Deposit date: | 2019-07-08 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | How Does a Microbial Rhodopsin RxR Realize Its Exceptionally High Thermostability with the Proton-Pumping Function Being Retained?
J.Phys.Chem.B, 124, 2020
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6K0O
 | | The crystal structure of human CD163-like homolog SRCR8 | | Descriptor: | Scavenger receptor cysteine-rich type 1 protein M160 | | Authors: | Ma, H, Li, R, Jiang, L, Qiao, S, Zhang, G. | | Deposit date: | 2019-05-07 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural comparison of CD163 SRCR5 from different species sheds some light on its involvement in porcine reproductive and respiratory syndrome virus-2 infection in vitro.
Vet Res, 52, 2021
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4U8N
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A complexed with UDP | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
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6K4I
 | | The partially disordered conformation of ubiquitin (Q41N variant) | | Descriptor: | ubiquitin | | Authors: | Wakamoto, T, Ikeya, T, Kitazawa, S, Baxter, N.J, Williamson, M.P, Kitahara, R. | | Deposit date: | 2019-05-24 | | Release date: | 2019-10-30 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Paramagnetic relaxation enhancement-assisted structural characterization of a partially disordered conformation of ubiquitin.
Protein Sci., 28, 2019
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6QLT
 | | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-7 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, DI(HYDROXYETHYL)ETHER, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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6QMB
 | | Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in nanodisc (closed state) | | Descriptor: | CALCIUM ION, Predicted protein | | Authors: | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | | Deposit date: | 2019-02-01 | | Release date: | 2019-03-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM.
Elife, 8, 2019
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6KFF
 | | Undocked INX-6 hemichannel in a nanodisc | | Descriptor: | Innexin-6 | | Authors: | Burendei, B, Shinozaki, R, Watanabe, M, Terada, T, Tani, K, Fujiyoshi, Y, Oshima, A. | | Deposit date: | 2019-07-07 | | Release date: | 2020-02-12 | | Last modified: | 2020-03-11 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures of undocked innexin-6 hemichannels in phospholipids.
Sci Adv, 6, 2020
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6QPB
 | | Cryo-EM structure of calcium-free mTMEM16F lipid scramblase in digitonin | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-6 | | Authors: | Alvadia, C, Lim, N.K, Clerico Mosina, V, Oostergetel, G.T, Dutzler, R, Paulino, C. | | Deposit date: | 2019-02-13 | | Release date: | 2019-03-06 | | Last modified: | 2019-03-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures and functional characterization of the murine lipid scramblase TMEM16F.
Elife, 8, 2019
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6QS5
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6KB6
 | | X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by delipidation and cross-seeding | | Descriptor: | 2-tetradecylsulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | | Deposit date: | 2019-06-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.431 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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8E7Y
 | | RsTSPO A138F with two heme bound | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan-rich sensory protein | | Authors: | Liu, J, Hiser, C, Li, F, Garavito, R, Ferguson-Miller, S. | | Deposit date: | 2022-08-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | New TSPO Crystal Structures of Mutant and Heme-Bound Forms with Altered Flexibility, Ligand Binding, and Porphyrin Degradation Activity.
Biochemistry, 62, 2023
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8E4D
 | | [U:Ag+:U] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-08-18 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (4.19 Å) | | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 35, 2023
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8E4E
 | | [T:Ag+:T] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-08-18 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (4.19 Å) | | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 35, 2023
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6KFH
 | | Undocked hemichannel of an N-terminal deletion mutant of INX-6 in a nanodisc | | Descriptor: | Innexin-6 | | Authors: | Burendei, B, Shinozaki, R, Watanabe, M, Terada, T, Tani, K, Fujiyoshi, Y, Oshima, A. | | Deposit date: | 2019-07-07 | | Release date: | 2020-02-12 | | Last modified: | 2020-03-11 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures of undocked innexin-6 hemichannels in phospholipids.
Sci Adv, 6, 2020
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8E7W
 | | RsTSPO A139T with Heme | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Liu, J, Hiser, C, Li, F, Garavito, R, Ferguson-Miller, S. | | Deposit date: | 2022-08-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New TSPO Crystal Structures of Mutant and Heme-Bound Forms with Altered Flexibility, Ligand Binding, and Porphyrin Degradation Activity.
Biochemistry, 62, 2023
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6QP3
 | | Crystal structure of the PLP-bound C-S lyase from Bacillus subtilis (strain 168) | | Descriptor: | ACETATE ION, Cystathionine beta-lyase PatB, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H. | | Deposit date: | 2019-02-13 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular basis of thioalcohol production in human body odour.
Sci Rep, 10, 2020
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4U8L
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
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