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7CXA
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BU of 7cxa by Molmil
Structure of human Galectin-3 CRD in complex with TD-139 belonging to P31 space group.
Descriptor: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3
Authors:Kumar, A.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3.
Glycobiology, 31, 2021
7CVU
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BU of 7cvu by Molmil
Crystal structure of Catechol o-methyl transferase (COMT) from Niastella koreensis
Descriptor: GLYCEROL, O-methyltransferase family 3
Authors:Kim, B, Lee, S.H, Kim, K.-J.
Deposit date:2020-08-27
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biochemical analysis of FumaraseC from Mannheimia succiniciproducens
To Be Published
7CXC
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BU of 7cxc by Molmil
Structure of mouse Galectin-3 CRD point mutant (V160A) in complex with TD-139 belonging to P121 space group.
Descriptor: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-3
Authors:Kumar, A.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3.
Glycobiology, 31, 2021
7CWG
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BU of 7cwg by Molmil
Crystal structure of PDE8A catalytic domain in complex with 3a
Descriptor: 9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B.
Deposit date:2020-08-28
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
J.Med.Chem., 63, 2020
7CWA
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BU of 7cwa by Molmil
Crystal structure of PDE8A catalytic domain in complex with clofarabine
Descriptor: 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B.
Deposit date:2020-08-27
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
J.Med.Chem., 63, 2020
7CV6
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BU of 7cv6 by Molmil
RNA methyltransferase METTL4
Descriptor: 2'-O-methyladenosine 5'-(dihydrogen phosphate), Methyltransferase-like protein 2, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CV8
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BU of 7cv8 by Molmil
RNA methyltransferase METTL4
Descriptor: GLYCEROL, Methyltransferase-like protein 2, SINEFUNGIN
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CX7
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BU of 7cx7 by Molmil
Crystal structure of Arabinose isomerase from hybrid AI8
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, L-arabinose isomerase, ...
Authors:Hoang, N.K.Q, Dhanasingh, I, Cao, T.P, Sung, J.Y, Shin, S.M, Lee, D.W, Lee, S.H.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal structure of Arabinose isomerase from hyper thermophilic bacterium Thermotoga maritima (TMAI) wt
To Be Published
7CVW
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BU of 7cvw by Molmil
Crystal structure of Catechol o-methyl transferase (COMT) from Niastella koreensis
Descriptor: GLYCEROL, MAGNESIUM ION, O-methyltransferase family 3, ...
Authors:Kim, B, Lee, S.H, Kim, K.-J.
Deposit date:2020-08-27
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural and Biochemical analysis of FumaraseC from Mannheimia succiniciproducens
To Be Published
7CWF
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BU of 7cwf by Molmil
Crystal structure of PDE8A catalytic domain in complex with 2c
Descriptor: 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B.
Deposit date:2020-08-28
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
J.Med.Chem., 63, 2020
7CVV
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BU of 7cvv by Molmil
Crystal structure of Catechol o-methyl transferase (COMT) from Niastella koreensis
Descriptor: O-methyltransferase family 3, S-ADENOSYLMETHIONINE
Authors:Kim, B, Lee, S.H, Kim, K.-J.
Deposit date:2020-08-27
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structural and Biochemical analysis of FumaraseC from Mannheimia succiniciproducens
To Be Published
7CWV
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BU of 7cwv by Molmil
Crystal structure of Arabinose isomerase from hyper thermophilic bacterium Thermotoga maritima (TMAI) wt
Descriptor: GLYCEROL, L-arabinose isomerase, MANGANESE (II) ION
Authors:Hoang, N.K.Q, Dhanasingh, I, Cao, T.P, Sung, J.Y, Shin, S.M, Lee, D.W, Lee, S.H.
Deposit date:2020-08-31
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Crystal structure of Arabinose isomerase from hyper thermophilic bacterium Thermotoga maritima (TMAI) wt
To Be Published
7CX6
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BU of 7cx6 by Molmil
Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine
Descriptor: (1R)-1-phenylethanamine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-09-01
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine at 1.69 Angstrom Resolution
To Be Published
7CX8
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BU of 7cx8 by Molmil
Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine
Descriptor: (1R)-1,2,3,4-tetrahydronaphthalen-1-amine, (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-09-01
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine at 1.70 Angstrom Resolution
To Be Published
7CKN
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BU of 7ckn by Molmil
Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine
Descriptor: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-07-17
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine at 1.55 Angstrom Resolution
To Be Published
7COO
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BU of 7coo by Molmil
Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine
Descriptor: (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CYCLOHEXYLAMMONIUM ION, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-08-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine at 1.49 Angstrom Resolution
To Be Published
7CON
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BU of 7con by Molmil
Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with n-Propylamine
Descriptor: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, 3-AMINOPROPANE, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-08-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-{2-[4-(trifluoromethoxy)phenoxy]}acetoyl-L-phenylalanine in complex with n-propylamine at 1.46 Angstrom Resolution
To Be Published
7CP8
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BU of 7cp8 by Molmil
Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Indanylamine
Descriptor: (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-08-06
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Indanylamine at 1.68 Angstrom Resolution
To Be Published
7CRU
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BU of 7cru by Molmil
hnRNPK NLS in complex with Importin alpha 1 (KPNA2)
Descriptor: ACETATE ION, GLYCEROL, Heterogeneous nuclear ribonucleoprotein K, ...
Authors:Yao, J, Sun, Q.
Deposit date:2020-08-14
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nuclear import receptors and hnRNPK mediates nuclear import and stress granule localization of SIRLOIN.
Cell.Mol.Life Sci., 78, 2021
7CRE
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BU of 7cre by Molmil
hnRNPK KH3 domain in complex with a ssDNA fragment from the SIRLOIN element
Descriptor: Heterogeneous nuclear ribonucleoprotein K, SODIUM ION, ssDNA fragment
Authors:Yao, J, Sun, Q.
Deposit date:2020-08-13
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Nuclear import receptors and hnRNPK mediates nuclear import and stress granule localization of SIRLOIN.
Cell.Mol.Life Sci., 78, 2021
7CLK
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BU of 7clk by Molmil
Mycobacterium tuberculosis enolase in complex with alternate 2-phosphoglycerate
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
Authors:Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K.
Deposit date:2020-07-21
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7CFJ
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BU of 7cfj by Molmil
Crystal structure of housekeeping sortase SrtA from Lactobacillus rhamnosus GG
Descriptor: Class A sortase
Authors:Pratap, S, Megta, A.K, Krishnan, V.
Deposit date:2020-06-25
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structure of housekeeping sortase SrtA from Lactobacillus rhamnosus GG
To Be Published
7CG9
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BU of 7cg9 by Molmil
Crystal structure of pilin-specific sortase SrtC1 from Lactobacillus rhamnosus GG
Descriptor: Class C sortase, SULFATE ION
Authors:Megta, A.K, Pratap, S, Krishnan, V.
Deposit date:2020-06-30
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of pilin-specific sortase SrtC1 from Lactobacillus rhamnosus GG
To Be Published
7CJ1
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BU of 7cj1 by Molmil
The crystal structure of FXIa serine protease domain in complex with benzamidine
Descriptor: BENZAMIDINE, Coagulation factor XI
Authors:Jiang, L, Huang, M.
Deposit date:2020-07-09
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of FXIa serine protease domain in complex with benzamidine.
To Be Published
7CAO
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BU of 7cao by Molmil
Crystal structure of red chromoprotein from Olindias formosa
Descriptor: Chromoprotein
Authors:Nakashima, R, Zhai, L, Ike, Y, Matsudz, T, Nagai, T.
Deposit date:2020-06-09
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-based analysis and evolution of a monomerized red-colored chromoprotein from the Olindias formosa jellyfish.
Protein Sci., 31, 2022

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PDB entries from 2024-08-21

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