5OW7
 
 | | VDR complex | | Descriptor: | (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N, Li, W. | | Deposit date: | 2017-08-31 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
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5OW9
 | | Vitamin D receptor complex | | Descriptor: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N, Li, W. | | Deposit date: | 2017-08-31 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
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7C7E
 | | Crystal structure of C terminal domain of Escherichia coli DgoR | | Descriptor: | Putative DNA-binding transcriptional regulator, SULFATE ION, TRIETHYLENE GLYCOL, ... | | Authors: | Lin, W. | | Deposit date: | 2020-05-25 | | Release date: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Structural and Functional Analyses of the Transcription Repressor DgoR From Escherichia coli Reveal a Divalent Metal-Containing D-Galactonate Binding Pocket.
Front Microbiol, 11, 2020
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4QPM
 | | Structure of Bub1 kinase domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Lin, Z.H, Jia, L.Y, Tomchick, D.R, Luo, X.L, Yu, H.T. | | Deposit date: | 2014-06-24 | | Release date: | 2014-10-22 | | Last modified: | 2014-12-24 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Substrate-Specific Activation of the Mitotic Kinase Bub1 through Intramolecular Autophosphorylation and Kinetochore Targeting.
Structure, 22, 2014
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1B4W
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6VZB
 | | Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | Deposit date: | 2020-02-28 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
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6VZA
 | | Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | Deposit date: | 2020-02-28 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
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6VXV
 | | Crystal structure of cyclo-L-Trp-L-Pro-bound cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053 | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | Deposit date: | 2020-02-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
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6W0S
 | | Crystal structure of substrate free cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053 | | Descriptor: | BROMIDE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | Deposit date: | 2020-03-02 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
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4ZRI
 | | Crystal structure of Merlin-FERM and Lats2 | | Descriptor: | Merlin, Serine/threonine-protein kinase LATS2 | | Authors: | Li, F, Zhou, H, Long, J, Shen, Y. | | Deposit date: | 2015-05-12 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway
Cell Res., 25, 2015
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6TYY
 | | Hedgehog autoprocessing mutant D46H | | Descriptor: | Protein hedgehog | | Authors: | Li, H, Li, Z, Wang, C, Callahan, B.P. | | Deposit date: | 2019-08-09 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019
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1A2A
 | | AGKISTROTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS | | Descriptor: | CHLORIDE ION, PHOSPHOLIPASE A2 | | Authors: | Tang, L, Zhou, Y, Lin, Z. | | Deposit date: | 1997-12-25 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of agkistrodotoxin, a phospholipase A2-type presynaptic neurotoxin from agkistrodon halys pallas.
J.Mol.Biol., 282, 1998
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1C1J
 | | STRUCTURE OF CADMIUM-SUBSTITUTED PHOSPHOLIPASE A2 FROM AGKISTRONDON HALYS PALLAS AT 2.8 ANGSTROMS RESOLUTION | | Descriptor: | BASIC PHOSPHOLIPASE A2, CADMIUM ION, octyl beta-D-glucopyranoside | | Authors: | Zhang, H.-l, Zhang, Y.-q, Song, S.-y, Zhou, Y, Lin, Z.-j. | | Deposit date: | 1999-07-22 | | Release date: | 2002-07-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Cadmium-substituted Phospholipase A2 from Agkistrodon halys
Pallas at 2.8 Angstroms Resolution
Protein Pept.Lett., 6, 1999
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1DSS
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5K7K
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1BJJ
 | | AGKISTRODOTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS | | Descriptor: | AGKISTRODOTOXIN, CALCIUM ION | | Authors: | Tang, L, Zhou, Y, Lin, Z. | | Deposit date: | 1998-06-25 | | Release date: | 1999-07-29 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of agkistrodotoxin in an orthorhombic crystal form with six molecules per asymmetric unit.
Acta Crystallogr.,Sect.D, 55, 1999
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2HV6
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2HV7
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2IE3
 | | Structure of the Protein Phosphatase 2A Core Enzyme Bound to Tumor-inducing Toxins | | Descriptor: | MANGANESE (II) ION, Protein Phosphatase 2, regulatory subunit A (PR 65), ... | | Authors: | Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y. | | Deposit date: | 2006-09-17 | | Release date: | 2006-11-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins
Cell(Cambridge,Mass.), 127, 2006
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2IE4
 | | Structure of the Protein Phosphatase 2A Core Enzyme Bound to okadaic acid | | Descriptor: | MANGANESE (II) ION, OKADAIC ACID, Protein Phosphatase 2, ... | | Authors: | Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y. | | Deposit date: | 2006-09-17 | | Release date: | 2006-11-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins
Cell(Cambridge,Mass.), 127, 2006
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2Q6C
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-06-04 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2Q6B
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-06-04 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2R4F
 | | Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-08-31 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.
J.Med.Chem., 51, 2008
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8J5Q
 | | Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-translocation state | | Descriptor: | Endogenous oligopeptide, IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, ... | | Authors: | Yang, X, Hu, T, Zhang, B, Rao, Z. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 2024
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8J5S
 | | Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-catalytic intermediate state | | Descriptor: | Endogenous oligopeptide, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Yang, X, Hu, T, Zhang, B, Rao, Z. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 2024
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