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7YFT
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BU of 7yft by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane and hydroxylamine
Descriptor: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, 2,3-dihydro-1H-indene, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
Deposit date:2022-07-09
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YJE
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BU of 7yje by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and acetate ion
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, ACETATE ION, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
Deposit date:2022-07-20
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YJG
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BU of 7yjg by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
Descriptor: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
Deposit date:2022-07-20
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
6NMG
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BU of 6nmg by Molmil
Crystal Structure of Rat Ric-8A G alpha binding domain
Descriptor: Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans), SULFATE ION
Authors:Zeng, B, Mou, T.C, Sprang, S.R.
Deposit date:2019-01-10
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure, Function, and Dynamics of the G alpha Binding Domain of Ric-8A.
Structure, 27, 2019
9C8L
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BU of 9c8l by Molmil
High-resolution structure of cytochrome c peroxidase from yeast at ambient temperature and ambient pressure
Descriptor: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zawistowski, R.K, Crane, B.R.
Deposit date:2024-06-12
Release date:2024-10-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Differential Responses in the Core, Active Site and Peripheral Regions of Cytochrome c Peroxidase to Extreme Pressure and Temperature.
J.Mol.Biol., 436, 2024
9C8P
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BU of 9c8p by Molmil
High-resolution structure of cytochrome c peroxidase from yeast at ambient temperature and 3.0 kbar
Descriptor: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zawistowski, R.K, Crane, B.R.
Deposit date:2024-06-12
Release date:2024-10-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Differential Responses in the Core, Active Site and Peripheral Regions of Cytochrome c Peroxidase to Extreme Pressure and Temperature.
J.Mol.Biol., 436, 2024
6MOG
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BU of 6mog by Molmil
Dimeric DARPin C_R3
Descriptor: 1,2-ETHANEDIOL, DARPin C_R3, TRIETHYLENE GLYCOL
Authors:Jude, K.M, Mohan, K, Garcia, K.C.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
6WY0
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BU of 6wy0 by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
6UE3
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BU of 6ue3 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with PC (JZ01-15)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NS3 protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-09-20
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
4WK1
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BU of 4wk1 by Molmil
Crystal structure of Staphylococcus aureus PstA in complex with c-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CALCIUM ION, PstA
Authors:Mueller, M, Hopfner, K.-P, Witte, G.
Deposit date:2014-10-01
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:c-di-AMP recognition by Staphylococcus aureus PstA.
Febs Lett., 589, 2015
6UL3
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BU of 6ul3 by Molmil
Crystal structure of a lysozyme from Litopenaeus vannamei
Descriptor: Lysozyme
Authors:Hernandez-Santoyo, A, Rodriguez-Romero, A.
Deposit date:2019-10-06
Release date:2020-03-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a C-type lysozyme from Litopenaeus vanamei exhibiting a high binding constant to its chitotriose inhibitor.
Fish Shellfish Immunol., 100, 2020
7ZFG
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BU of 7zfg by Molmil
VDR complex with aromatic D-ring analog
Descriptor: (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
Authors:Rochel, N.
Deposit date:2022-04-01
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3.
J.Med.Chem., 65, 2022
6UKC
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BU of 6ukc by Molmil
Crystal structure of a lysozyme from Litopenaeus vannamei
Descriptor: GLYCEROL, Lysozyme
Authors:Hernandez-Santoyo, A, Rodriguez-Romero, A.
Deposit date:2019-10-04
Release date:2020-03-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of a C-type lysozyme from Litopenaeus vanamei exhibiting a high binding constant to its chitotriose inhibitor.
Fish Shellfish Immunol., 100, 2020
6Y9O
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BU of 6y9o by Molmil
Crystal structure of Whirlin PDZ3_C-ter in complex with CASK internal PDZ binding motif peptide
Descriptor: Peripheral plasma membrane protein CASK, Whirlin
Authors:Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N.
Deposit date:2020-03-10
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
6SYS
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BU of 6sys by Molmil
Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
Descriptor: (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2019-10-01
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
To Be Published
9C8M
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BU of 9c8m by Molmil
High-resolution structure of cytochrome c peroxidase from yeast under cryogenic conditions and ambient pressure
Descriptor: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zawistowski, R.K, Crane, B.R.
Deposit date:2024-06-12
Release date:2024-10-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Differential Responses in the Core, Active Site and Peripheral Regions of Cytochrome c Peroxidase to Extreme Pressure and Temperature.
J.Mol.Biol., 436, 2024
9C8O
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BU of 9c8o by Molmil
High-resolution structure of cytochrome c peroxidase from yeast at ambient temperature and 1.5 kbar
Descriptor: Cytochrome c peroxidase, mitochondrial, PEROXIDE ION, ...
Authors:Zawistowski, R.K, Crane, B.R.
Deposit date:2024-06-12
Release date:2024-10-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Differential Responses in the Core, Active Site and Peripheral Regions of Cytochrome c Peroxidase to Extreme Pressure and Temperature.
J.Mol.Biol., 436, 2024
6Y9Q
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BU of 6y9q by Molmil
Crystal structure of Whirlin PDZ3_C-ter in complex with Taperin internal PDZ binding motif peptide
Descriptor: Taperin, Whirlin
Authors:Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N.
Deposit date:2020-03-10
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.315 Å)
Cite:Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
6OGH
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BU of 6ogh by Molmil
Structure of Aedes aegypti OBP22 in the complex with linoleic acid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AAEL005772-PA, CADMIUM ION, ...
Authors:Jones, D.N, Wang, J.
Deposit date:2019-04-02
Release date:2019-04-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
8PNQ
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BU of 8pnq by Molmil
Influenza A/H7N9 polymerase in elongation state with continuous Pol II pS5 CTD peptide mimic bound in site 1A/2A
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, 51-mer vRNA loop (v51_mut_S), MAGNESIUM ION, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2023-06-30
Release date:2024-02-21
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024
8PNP
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BU of 8pnp by Molmil
Influenza A/H7N9 polymerase in pre-initiation state with continuous Pol II pS5 CTD peptide mimic bound in site 1A/2A
Descriptor: 51-mer vRNA loop (v51_mut_S), Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2023-06-30
Release date:2024-02-21
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024
7JX0
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BU of 7jx0 by Molmil
NVS-PI3-4 bound to the PI3Kg catalytic subunit p110 gamma
Descriptor: N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
Deposit date:2020-08-26
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
7JWZ
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BU of 7jwz by Molmil
IPI-549 bound to the PI3Kg catalytic subunit p110 gamma
Descriptor: 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
Deposit date:2020-08-26
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
5OF0
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BU of 5of0 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII), the E424M inactive mutant, in complex with a inhibitor CFBzOG
Descriptor: (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Novakova, Z, Motlova, L, Barinka, C.
Deposit date:2017-07-10
Release date:2018-08-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
1YCW
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BU of 1ycw by Molmil
Clustered abasic lesions in dna: nmr solution structures of clustered bistranded-1 abasic lesion
Descriptor: 5'-D(*CP*GP*CP*AP*TP*GP*(3DR)P*GP*TP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*AP*CP*CP*(3DR)P*AP*TP*GP*CP*G)-3'
Authors:Hazel, R.D, de los Santos, C.
Deposit date:2004-12-23
Release date:2005-12-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR solution structures of bistranded abasic site lesions in DNA.
Biochemistry, 47, 2008

238582

數據於2025-07-09公開中

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