6U8I
 
 | | BRD4-BD2 in complex with the cyclic peptide 3.2_2 | | Descriptor: | AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_2 | | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | Deposit date: | 2019-09-05 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7CXC
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7CWJ
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7CTL
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6UDR
 | | S2 symmetric peptide design number 3 crystal form 1, Lurch | | Descriptor: | S2-3, Lurch crystal form 1 | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-19 | | Release date: | 2020-09-23 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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7CTM
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7CWP
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6UGN
 | | Human Carbonic Anhydrase 2 complexed with SB4-205 | | Descriptor: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | Authors: | Murray, A.B, Supuran, C.T, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.406 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6UHU
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7DKN
 | | Crystal structure of Sulfurisphaera tokodaii O6-methylguanine methyltransferase | | Descriptor: | Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION | | Authors: | Kikuchi, M, Yamauchi, T, Iizuka, Y, Tsunoda, M. | | Deposit date: | 2020-11-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase.
Acta Crystallogr.,Sect.F, 77, 2021
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7DKP
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7DRK
 | | Crystal structure of phosphatidylglycerol phosphate synthase in complex with cytidine diphosphate-diacylglycerol | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,4-BUTANEDIOL, 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, ... | | Authors: | Yang, B.W, Liu, Z.F. | | Deposit date: | 2020-12-28 | | Release date: | 2021-12-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The phosphatidylglycerol phosphate synthase PgsA utilizes a trifurcated amphipathic cavity for catalysis at the membrane-cytosol interface.
Curr Res Struct Biol, 3, 2021
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7D8E
 | | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09 | | Descriptor: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ... | | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | | Deposit date: | 2020-10-08 | | Release date: | 2021-12-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09
To Be Published
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7DRJ
 | | Crystal structure of phosphatidylglycerol phosphate synthase in complex with phosphatidylglycerol phosphate | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,4-BUTANEDIOL, ACETIC ACID, ... | | Authors: | Yang, B.W, Liu, Z.F. | | Deposit date: | 2020-12-28 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The phosphatidylglycerol phosphate synthase PgsA utilizes a trifurcated amphipathic cavity for catalysis at the membrane-cytosol interface.
Curr Res Struct Biol, 3, 2021
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7DMM
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7DQR
 | | Crystal structure of Sulfurisphaera tokodaii methylated O6-methylguanine methyltransferase | | Descriptor: | Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION | | Authors: | Kikuchi, M, Yamauchi, T, Iizuka, Y, Tsonoda, M. | | Deposit date: | 2020-12-24 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase.
Acta Crystallogr.,Sect.F, 77, 2021
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7DQQ
 | | Crystal structure of Sulfurisphaera tokodaii O6-methylguanine methyltransferase Y91F/C120S variant in complex with O6-methyldeoxyguanosine | | Descriptor: | (2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, Methylated-DNA--protein-cysteine methyltransferase | | Authors: | Kikuchi, M, Yamauchi, T, Iizuka, Y, Tsunoda, M. | | Deposit date: | 2020-12-24 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase.
Acta Crystallogr.,Sect.F, 77, 2021
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7DQT
 | | Crystal structure of O6-methylguanine methyltransferase Y91F variant | | Descriptor: | Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION | | Authors: | Kikuchi, M, Iizuka, Y, Yamauchi, T, Tsunoda, M. | | Deposit date: | 2020-12-24 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase.
Acta Crystallogr.,Sect.F, 77, 2021
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7DPO
 | | Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound | | Descriptor: | 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2 | | Authors: | Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B. | | Deposit date: | 2020-12-21 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.29994035 Å) | | Cite: | Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency
To Be Published
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7DPN
 | | Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound | | Descriptor: | 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2 | | Authors: | Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B. | | Deposit date: | 2020-12-20 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79998839 Å) | | Cite: | Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency
To Be Published
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7DSU
 | | Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V | | Descriptor: | 1,2-ETHANEDIOL, Mbo45V, SINEFUNGIN | | Authors: | Ahmed, I, Chouhan, O.P, Gopinath, A, Morgan, R.D, Bhagat, K, Singh, A, Saikrishnan, K. | | Deposit date: | 2021-01-02 | | Release date: | 2022-01-05 | | Last modified: | 2023-04-05 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V
To Be Published
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7D66
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7DLM
 | | Short chain dehydrogenase (SCR) crystal structure with NADPH | | Descriptor: | Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-11-28 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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7DLD
 | | Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states | | Descriptor: | Carbonyl Reductase, MAGNESIUM ION | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-11-27 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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7E5V
 | | Crystal structure of Phm7 in complex with inhibitor | | Descriptor: | Diels-Alderase, GLYCEROL, SULFATE ION, ... | | Authors: | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | | Deposit date: | 2021-02-20 | | Release date: | 2021-06-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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