5TF9
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5EHR
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5EHP
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![BU of 5ehp by Molmil](/molmil-images/mine/5ehp) | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836 | Descriptor: | 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Stams, T, Fodor, M. | Deposit date: | 2015-10-28 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor. J.Med.Chem., 59, 2016
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4FWE
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![BU of 4fwe by Molmil](/molmil-images/mine/4fwe) | Native structure of LSD2 /AOF1/KDM1b in spacegroup of C2221 at 2.13A | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ... | Authors: | Zhang, Q, Chen, Z. | Deposit date: | 2012-07-01 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b Cell Res., 23, 2013
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5B6E
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4FWF
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![BU of 4fwf by Molmil](/molmil-images/mine/4fwf) | Complex structure of LSD2/AOF1/KDM1b with H3K4 mimic | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.1, Lysine-specific histone demethylase 1B, ... | Authors: | Zhang, Q, Chen, Z. | Deposit date: | 2012-07-01 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b Cell Res., 23, 2013
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5B6D
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4FWJ
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![BU of 4fwj by Molmil](/molmil-images/mine/4fwj) | Native structure of LSD2/AOF1/KDM1b in spacegroup of I222 at 2.9A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, PHOSPHATE ION, ... | Authors: | Zhang, Q, Chen, Z. | Deposit date: | 2012-07-01 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b Cell Res., 23, 2013
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6SIY
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![BU of 6siy by Molmil](/molmil-images/mine/6siy) | PaaK family AMP-ligase with AMP and substrate | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, ADENOSINE MONOPHOSPHATE, ... | Authors: | Naismith, J.H, Song, H. | Deposit date: | 2019-08-12 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility. Angew.Chem.Int.Ed.Engl., 59, 2020
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6SJ0
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![BU of 6sj0 by Molmil](/molmil-images/mine/6sj0) | Amidohydrolase, AHS | Descriptor: | Amidohydrolase, BICARBONATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Naismith, J.H, Song, H. | Deposit date: | 2019-08-12 | Release date: | 2020-01-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility. Angew.Chem.Int.Ed.Engl., 59, 2020
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6SIX
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![BU of 6six by Molmil](/molmil-images/mine/6six) | PaaK family AMP-ligase with ANP | Descriptor: | 1,2-ETHANEDIOL, AMP-dependent synthetase and ligase, CITRATE ANION, ... | Authors: | Naismith, J.H, Song, H. | Deposit date: | 2019-08-12 | Release date: | 2020-01-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility. Angew.Chem.Int.Ed.Engl., 59, 2020
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8JWN
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![BU of 8jwn by Molmil](/molmil-images/mine/8jwn) | Crystal structure of AKRtyl-NADPH complex | Descriptor: | Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2023-06-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8JWO
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8JWL
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8JWK
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![BU of 8jwk by Molmil](/molmil-images/mine/8jwk) | The second purified state crystal structure of AKRtyl | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2023-06-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8JWM
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![BU of 8jwm by Molmil](/molmil-images/mine/8jwm) | Crystal structure of AKRtyl-NADP-tylosin complex | Descriptor: | Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TYLOSIN | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2023-06-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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6TM4
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![BU of 6tm4 by Molmil](/molmil-images/mine/6tm4) | NatL2 in complex with two molecules of salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Naismith, J.H, Song, H. | Deposit date: | 2019-12-03 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility. Angew.Chem.Int.Ed.Engl., 59, 2020
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5JNH
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8K4Q
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8GRQ
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![BU of 8grq by Molmil](/molmil-images/mine/8grq) | Cryo-EM structure of BRCA1/BARD1 bound to H2AK127-UbcH5c-Ub nucleosome | Descriptor: | BRCA1-associated RING domain protein 1, Breast cancer type 1 susceptibility protein, DNA (147-MER), ... | Authors: | Ai, H.S, Zebin, T, Zhiheng, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L. | Deposit date: | 2022-09-02 | Release date: | 2023-04-12 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination. Chem, 2023
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8GRM
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![BU of 8grm by Molmil](/molmil-images/mine/8grm) | Cryo-EM structure of PRC1 bound to H2AK119-UbcH5b-Ub nucleosome | Descriptor: | COMMD3 protein, DNA (144-MER), DNA (145-MER), ... | Authors: | Ai, H.S, Zebin, T, Zhihend, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L. | Deposit date: | 2022-09-02 | Release date: | 2023-04-12 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination. Chem, 2023
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8I4Z
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![BU of 8i4z by Molmil](/molmil-images/mine/8i4z) | CalA3 with hydrolysis product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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8I4Y
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![BU of 8i4y by Molmil](/molmil-images/mine/8i4y) | CalA3 complex structure with amidation product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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7FH5
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![BU of 7fh5 by Molmil](/molmil-images/mine/7fh5) | Structure of AdaV | Descriptor: | AdaV, CHLORIDE ION, FE (III) ION | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | Deposit date: | 2021-07-29 | Release date: | 2022-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis Acs Catalysis, 12, 2022
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8HR1
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![BU of 8hr1 by Molmil](/molmil-images/mine/8hr1) | Cryo-EM structure of SSX1 bound to the unmodified nucleosome at a resolution of 3.02 angstrom | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | Zebin, T, Ai, H.S, Ziyu, X, Man, P, Liu, L. | Deposit date: | 2022-12-14 | Release date: | 2023-09-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Synovial sarcoma X breakpoint 1 protein uses a cryptic groove to selectively recognize H2AK119Ub nucleosomes. Nat.Struct.Mol.Biol., 31, 2024
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