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5WZV
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Crystal structure of human secreted phospholipase A2 group IIE with Me-indoxam
Descriptor: 2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Hou, S, Xu, J, Xu, T, Liu, J.
Deposit date:2017-01-18
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
4ZIN
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BU of 4zin by Molmil
Genetically encoded Phenyl Azide Photochemistry Drive Positive and Negative Functional Modulation of a Red Fluorescent Protein
Descriptor: 1,2-ETHANEDIOL, MCherry fluorescent protein, SULFATE ION
Authors:Reddington, S.C, Driezis, S, Hartley, A.M, Watson, P.D, Rizkallah, P.J, Jones, D.D.
Deposit date:2015-04-28
Release date:2015-09-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Genetically encoded phenyl azide photochemistry drives positive and negative functional modulation of a red fluorescent protein
Rsc Adv, 5, 2015
4ZJN
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BU of 4zjn by Molmil
Crystal structure of the bacteriophage G20C portal protein
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Portal protein
Authors:Williams, L.S, Turkenburg, J.P, Levdikov, V.M, Minakhin, L, Severinov, K, Antson, A.A.
Deposit date:2015-04-29
Release date:2015-05-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of the bacteriophage G20C portal protein
To be published
5XE1
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BU of 5xe1 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943
Descriptor: 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xu, J, Wu, U, Liu, J.
Deposit date:2017-03-31
Release date:2017-05-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943
Biochem. Biophys. Res. Commun., 487, 2017
5XHM
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BU of 5xhm by Molmil
Crystal structure of Frog M-ferritin D40A mutant
Descriptor: CHLORIDE ION, Ferritin, middle subunit, ...
Authors:Jagdev, M.K, Vasudevan, D.
Deposit date:2017-04-21
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Surface charge dependent separation of modified and hybrid ferritin in native PAGE: Impact of lysine 104
Biochim. Biophys. Acta, 1865, 2017
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
Descriptor: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
Authors:You, T, Kuang, Z.
Deposit date:2017-05-17
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
5XOZ
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BU of 5xoz by Molmil
Crystal structure of a Kunitz type trypsin inhibitor from Cicer arietinumL
Descriptor: Trypsin protein inhibitor 2
Authors:Bendre, A.D, Suresh, C.G, Ramasamy, S.
Deposit date:2017-05-31
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L.
J.Biomol.Struct.Dyn., 37, 2019
5XT8
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BU of 5xt8 by Molmil
Magnesium bound apo structure of thymidylate kinase (form I) from Thermus thermophilus HB8
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-06-17
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
5XGS
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BU of 5xgs by Molmil
Crystal structure of human WBSCR16
Descriptor: RCC1-like G exchanging factor-like protein
Authors:Koyama, M, Sasaki, N, Matsuura, Y.
Deposit date:2017-04-16
Release date:2017-06-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human WBSCR16, an RCC1-like protein in mitochondria
Protein Sci., 26, 2017
5XH7
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BU of 5xh7 by Molmil
Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RR variant in complex with crRNA and target DNA (TCCA PAM)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ...
Authors:Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O.
Deposit date:2017-04-19
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1
Mol. Cell, 67, 2017
5X7J
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BU of 5x7j by Molmil
Crystal structure of thymidylate kinase from thermus thermophilus HB8
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-02-27
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2019
5X9Q
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BU of 5x9q by Molmil
Crystal structure of HldC from Burkholderia pseudomallei
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative cytidylyltransferase
Authors:Park, J, Kim, H, Kim, S, Lee, D, Shin, D.H.
Deposit date:2017-03-08
Release date:2017-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of D-glycero-Beta-D-manno-heptose-1-phosphate adenylyltransferase from Burkholderia pseudomallei.
Proteins, 86, 2018
5XAF
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BU of 5xaf by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound Z1 complex
Descriptor: (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Zhang, H, Luo, C, Wang, Y.
Deposit date:2017-03-12
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
5XB5
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BU of 5xb5 by Molmil
Crystal structure of R90A mutant of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: PHOSPHATE ION, Thymidylate kinase
Authors:Biswas, A, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-15
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
FEBS J., 284, 2017
5XUQ
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BU of 5xuq by Molmil
Crystal structure of VDR-LBD complexed with an antagonist, 2-methylidene-19,26,27-trinor-22-(S)-butyl-1-hydroxy-25-oxo-25-(1H-pyrrol-2-yl)- vitamin D3
Descriptor: (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Kato, A, Itoh, T, Yamamoto, K.
Deposit date:2017-06-24
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Potent Vitamin D Receptor Antagonist
To Be Published
5XVN
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BU of 5xvn by Molmil
E. far Cas1-Cas2/prespacer binary complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
Authors:Xiao, Y, Ng, S, Nam, K.H, Ke, A.
Deposit date:2017-06-28
Release date:2017-10-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
5XWK
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BU of 5xwk by Molmil
Crystal Structure of SPAP, an alkaline phosphatase from Sphingomonas in complex with inorganic phosphate
Descriptor: Alkaline phosphatase PhoK, CALCIUM ION, GLYCEROL, ...
Authors:Bihani, S.C, Hosur, M.V.
Deposit date:2017-06-29
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Crystal Structure of SPAP, an alkaline phosphatase from Sphingomonas in complex with
To Be Published
6A43
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BU of 6a43 by Molmil
R1EN(5-225)-ubiquitin fusion
Descriptor: ACETIC ACID, RNA-directed DNA polymerase homolog (R1),Polyubiquitin-C
Authors:Maita, N.
Deposit date:2018-06-19
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure Determination of Ubiquitin by Fusion to a Protein That Forms a Highly Porous Crystal Lattice
J. Am. Chem. Soc., 140, 2018
6A4X
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BU of 6a4x by Molmil
Oxidase ChaP-H2
Descriptor: Bleomycin resistance protein, FE (II) ION
Authors:Zhang, B, Wang, Y.S, Ge, H.M.
Deposit date:2018-06-21
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
6A4Z
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BU of 6a4z by Molmil
Oxidase ChaP
Descriptor: ChaP protein, FE (II) ION
Authors:Zhang, B, Ge, H.M.
Deposit date:2018-06-21
Release date:2018-08-29
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
6A5Z
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BU of 6a5z by Molmil
Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1
Descriptor: (9cis)-retinoic acid, 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
5ZSI
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BU of 5zsi by Molmil
Crystal structure of monkey TLR7 in complex with CL097
Descriptor: 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
5ZZA
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BU of 5zza by Molmil
OdinProfilin/Rabbit Actin Complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Robinson, R.C, Akil, C.
Deposit date:2018-05-31
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Genomes of Asgard archaea encode profilins that regulate actin.
Nature, 562, 2018
5ZSN
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BU of 5zsn by Molmil
Crystal structure of monkey TLR7 in complex with AAUUAA
Descriptor: 2',3'- cyclic AMP, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
5ZZW
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BU of 5zzw by Molmil
Proteobacterial origin of protein arginine methylation and regulation of Complex I assembly by MidA
Descriptor: Protein arginine methyltransferase NDUFAF7 homolog, mitochondrial, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Arold, S.T, Swaminathan, K, Hameed, U.F.S.
Deposit date:2018-06-04
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Proteobacterial Origin of Protein Arginine Methylation and Regulation of Complex I Assembly by MidA.
Cell Rep, 24, 2018

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