5LRV
 
 | | Structure of Cezanne/OTUD7B OTU domain bound to Lys11-linked diubiquitin | | Descriptor: | GLYCEROL, OTU domain-containing protein 7B, PHOSPHATE ION, ... | | Authors: | Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D. | | Deposit date: | 2016-08-22 | | Release date: | 2016-10-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
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6Z8O
 | | Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Krypton gas - structure G491A-Kr | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | | Deposit date: | 2020-06-02 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
J.Biol.Inorg.Chem., 25, 2020
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6Z7R
 | | Structure of [NiFeSe] hydrogenase from Desulfovibrio vulgaris hildenborough pressurized with Krypton gas - structure wtKr1 | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | | Deposit date: | 2020-06-01 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
J.Biol.Inorg.Chem., 25, 2020
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5N7T
 | | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | | Descriptor: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Rowland, P. | | Deposit date: | 2017-02-21 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis.
Bioorg. Med. Chem. Lett., 27, 2017
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7U3S
 | | [2T7+21] Self-assembling tensegrity triangle with two turns of DNA and the sticky end addition of a two-turn linker per axis with R3 symmetry | | Descriptor: | DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), DNA (5'-D(P*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*GP*AP*TP*GP*CP*TP*GP*AP*CP*GP*TP*AP*GP*TP*AP*GP*CP*AP*GP*AP*G)-3'), ... | | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-02-28 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (9.5 Å) | | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants.
Adv Mater, 34, 2022
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8F7S
 | | Gi bound delta-opioid receptor in complex with deltorphin | | Descriptor: | CHOLESTEROL, Delta-type opioid receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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8F7Q
 | | Gi bound mu-opioid receptor in complex with beta-endorphin | | Descriptor: | Beta-endorphin, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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8F7R
 | | Gi bound mu-opioid receptor in complex with endomorphin | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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8XAR
 | | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54 | | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | | Authors: | Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L. | | Deposit date: | 2023-12-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
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7P3E
 | | MHC I A02 Allele presenting YLQLRTFLL | | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, IODIDE ION, ... | | Authors: | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | | Deposit date: | 2021-07-07 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope.
Cell, 185, 2022
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8EZF
 | | A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase R98A/R100A variant | | Descriptor: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Gatreddi, S, Hausinger, R.P, Hu, J. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
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8EZI
 | | A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with separated sulfite and NPN | | Descriptor: | 1,2-ETHANEDIOL, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, CALCIUM ION, ... | | Authors: | Gatreddi, S, Hausinger, R.P, Hu, J. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
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6O0M
 | | crystal structure of BCL-2 F104L mutation with venetoclax | | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, DI(HYDROXYETHYL)ETHER | | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-02-16 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
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6WH3
 | | Capsid structure of Penaeus monodon metallodensovirus at pH 8.2 | | Descriptor: | CALCIUM ION, Penaeus monodon metallodensovirus major capsid protein | | Authors: | Penzes, J.J, Pham, H.T, Chipman, P, Bhattacharya, N, McKenna, R, Agbandje-McKenna, M, Tijssen, P. | | Deposit date: | 2020-04-07 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Molecular biology and structure of a novel penaeid shrimp densovirus elucidate convergent parvoviral host capsid evolution.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8EZH
 | | A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with sulfite-NPN adduct | | Descriptor: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Gatreddi, S, Hausinger, R.P, Hu, J. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor.
Acs Catalysis, 13, 2023
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6WRN
 | | Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A variant bound to 3-nitro-tyrosine | | Descriptor: | META-NITRO-TYROSINE, SODIUM ION, Tyrosine--tRNA ligase | | Authors: | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2020-04-29 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase.
J.Mol.Biol., 432, 2020
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8XB0
 | | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 | | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | | Authors: | Tong, S.L, Zhang, G.P. | | Deposit date: | 2023-12-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
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7MG7
 | | Concanavalin A bound to a DNA glycoconjugate, Man-GTAC | | Descriptor: | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ... | | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | | Deposit date: | 2021-04-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
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6ZHH
 | | Ca2+-ATPase from Listeria Monocytogenes with G4 insertion. | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, ... | | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | | Deposit date: | 2020-06-23 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
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5HBX
 | | RNA primer-template complex with 2-methylimidazole-activated monomer analogue-2 binding sites | | Descriptor: | RNA (5'-R(*(LCC)P*(LCC)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid | | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | | Deposit date: | 2016-01-03 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes.
ACS Cent Sci, 2, 2016
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6WYB
 | | RTX (Reverse Transcription Xenopolymerase) in complex with an RNA/DNA hybrid | | Descriptor: | 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA polymerase, ... | | Authors: | Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W. | | Deposit date: | 2020-05-12 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | How a B family DNA polymerase has been evolved to copy RNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7MG6
 | | Concanavalin A bound to a DNA glycoconjugate, Man-AGCT | | Descriptor: | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ... | | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | | Deposit date: | 2021-04-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
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7MG9
 | | Concanavalin A bound to DNA glycoconjugates, Man-TTTT and Man-AAAA | | Descriptor: | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ... | | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | | Deposit date: | 2021-04-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
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6O0K
 | | crystal structure of BCL-2 with venetoclax | | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2, NONAETHYLENE GLYCOL | | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-02-16 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
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6O2B
 | | Crystal structure of 4493 Fab in complex with circumsporozoite protein DND and anti-kappa VHH domain | | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | | Deposit date: | 2019-02-22 | | Release date: | 2020-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
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