6N3K
 
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1 | | Descriptor: | Epoxide hydrolase, N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea | | Authors: | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | Deposit date: | 2018-11-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
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6NKE
 | | Wild-type GGGPS from Thermoplasma volcanium | | Descriptor: | GLYCEROL, Geranylgeranylglyceryl phosphate synthase, IMIDAZOLE, ... | | Authors: | Blank, P.N, Alderfer, K.E, Gillott, B.N, Christianson, D.W, Himmelberger, J.A. | | Deposit date: | 2019-01-07 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural studies of geranylgeranylglyceryl phosphate synthase, a prenyltransferase found in thermophilic Euryarchaeota.
Acta Crystallogr D Struct Biol, 76, 2020
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6NJS
 | | Stat3 Core in complex with compound SD36 | | Descriptor: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2019-01-04 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
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6ND7
 | | The crystal structure of TerB co-crystallized with polyporic acid | | Descriptor: | 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2018-12-13 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
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6NTB
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6NNC
 | | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed | | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2019-01-14 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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6NY3
 | | CasX ternary complex with 30bp target DNA | | Descriptor: | CasX, DNA Non-target strand, DNA target strand, ... | | Authors: | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | | Deposit date: | 2019-02-10 | | Release date: | 2019-02-27 | | Last modified: | 2019-12-25 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
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6NNH
 | | Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil | | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B. | | Deposit date: | 2019-01-15 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.523 Å) | | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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1TV3
 | | Crystal structure of the N-methyl-hydroxylamine MtmB complex | | Descriptor: | 5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1 | | Authors: | Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K. | | Deposit date: | 2004-06-26 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
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6O12
 | | E. coli cysteine desulfurase SufS H123A | | Descriptor: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Dunkle, J.A, Frantom, P.A. | | Deposit date: | 2019-02-17 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Direct observation of intermediates in the SufS cysteine desulfurase reaction reveals functional roles of conserved active-site residues.
J.Biol.Chem., 294, 2019
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6NUQ
 | | Stat3 Core in complex with compound SI109 | | Descriptor: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2019-02-01 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
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6NY2
 | | CasX-gRNA-DNA(45bp) state I | | Descriptor: | CasX, DNA Non-target strand, DNA target strand, ... | | Authors: | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | | Deposit date: | 2019-02-10 | | Release date: | 2019-02-27 | | Last modified: | 2019-12-25 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
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6NNI
 | | Structure of closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pyrimethamine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, COBALT (II) ION, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2019-01-15 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.561 Å) | | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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6NNE
 | | Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with diaverdine | | Descriptor: | 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2019-01-14 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.595 Å) | | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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6NND
 | | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate | | Descriptor: | COBALT (II) ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2019-01-14 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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1TV2
 | | Crystal structure of the hydroxylamine MtmB complex | | Descriptor: | 5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1 | | Authors: | Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K. | | Deposit date: | 2004-06-26 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
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6O13
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1UGH
 | | CRYSTAL STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE IN COMPLEX WITH A PROTEIN INHIBITOR: PROTEIN MIMICRY OF DNA | | Descriptor: | PROTEIN (URACIL-DNA GLYCOSYLASE INHIBITOR), PROTEIN (URACIL-DNA GLYCOSYLASE) | | Authors: | Mol, C.D, Arvai, A.S, Sanderson, R.J, Slupphaug, G, Kavli, B, Krokan, H.E, Mosbaugh, D.W, Tainer, J.A. | | Deposit date: | 1999-02-05 | | Release date: | 1999-02-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human uracil-DNA glycosylase in complex with a protein inhibitor: protein mimicry of DNA.
Cell(Cambridge,Mass.), 82, 1995
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6O11
 | | E. coli cysteine desulfurase SufS C364A with a Cys-aldimine intermediate | | Descriptor: | CHLORIDE ION, Cysteine desulfurase, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE | | Authors: | Dunkle, J.A, Frantom, P.A. | | Deposit date: | 2019-02-17 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Direct observation of intermediates in the SufS cysteine desulfurase reaction reveals functional roles of conserved active-site residues.
J.Biol.Chem., 294, 2019
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6NY1
 | | CasX-gRNA-DNA(30bp) State II | | Descriptor: | CasX, DNA Non-target strand, DNA target strand, ... | | Authors: | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | | Deposit date: | 2019-02-10 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
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1TV4
 | | Crystal structure of the sulfite MtmB complex | | Descriptor: | 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1, SULFATE ION | | Authors: | Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K. | | Deposit date: | 2004-06-26 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
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6O10
 | | E. coli cysteine desulfurase SufS | | Descriptor: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Dunkle, J.A, Frantom, P.A. | | Deposit date: | 2019-02-17 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Direct observation of intermediates in the SufS cysteine desulfurase reaction reveals functional roles of conserved active-site residues.
J.Biol.Chem., 294, 2019
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6OON
 | | Human Argonaute4 bound to guide RNA | | Descriptor: | Protein argonaute-4, RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*UP*U)-3') | | Authors: | Park, M.S, Brackbill, J.A, Nakanishi, K. | | Deposit date: | 2019-04-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multidomain Convergence of Argonaute during RISC Assembly Correlates with the Formation of Internal Water Clusters.
Mol.Cell, 75, 2019
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6OA3
 | | Structure of human PARG complexed with JA2131 | | Descriptor: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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6O9Y
 | | Structure of human PARG complexed with JA2-8 | | Descriptor: | 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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