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3X02
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BU of 3x02 by Molmil
Crystal structure of PIP4KIIBETA complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X0A
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BU of 3x0a by Molmil
Crystal structure of PIP4KIIBETA F205L complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X0B
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BU of 3x0b by Molmil
Crystal structure of PIP4KIIBETA I368A complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X0C
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BU of 3x0c by Molmil
Crystal structure of PIP4KIIBETA I368A complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X08
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BU of 3x08 by Molmil
Crystal structure of PIP4KIIBETA N203A complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X07
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BU of 3x07 by Molmil
Crystal structure of PIP4KIIBETA N203A complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-09
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3WZZ
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BU of 3wzz by Molmil
Crystal structure of PIP4KIIBETA
Descriptor: Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
Deposit date:2014-10-08
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
7YFC
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BU of 7yfc by Molmil
Cryo-EM structure of the histamine-bound histamine H4 receptor and Gq complex
Descriptor: CHOLESTEROL, Engineered G-alpha-q, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Im, D, Iwata, S, Asada, H.
Deposit date:2022-07-08
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the agonists binding and receptor selectivity of human histamine H 4 receptor.
Nat Commun, 14, 2023
7YFD
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BU of 7yfd by Molmil
Cryo-EM structure of the imetit-bound histamine H4 receptor and Gq complex
Descriptor: 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate, CHOLESTEROL, Engineered G-alpha-q, ...
Authors:Im, D, Iwata, S, Asada, H.
Deposit date:2022-07-08
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the agonists binding and receptor selectivity of human histamine H 4 receptor.
Nat Commun, 14, 2023
8JJE
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BU of 8jje by Molmil
RBD of SARS-CoV2 spike protein with ACE2 decoy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Kishikawa, J, Hirose, M, Kato, T, Okamoto, T.
Deposit date:2023-05-30
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An inhaled ACE2 decoy confers protection against SARS-CoV-2 infection in preclinical models.
Sci Transl Med, 15, 2023
7O4W
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BU of 7o4w by Molmil
Crystal structure of diphtheria toxin mutant CRM197 with a disulphide bond replaced by a Cys-Acetone-Cys bridge
Descriptor: 1,2-ETHANEDIOL, 1-hydroxypropan-2-one, ACETATE ION, ...
Authors:Veggi, D, Dello Iacono, L.
Deposit date:2021-04-07
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.03002071 Å)
Cite:Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates.
Chem Sci, 13, 2022
6OGN
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BU of 6ogn by Molmil
Crystal structure of mouse protein arginine methyltransferase 7 in complex with SGC8158 chemical probe
Descriptor: 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, Protein arginine N-methyltransferase 7, UNKNOWN ATOM OR ION, ...
Authors:Halabelian, L, Dong, A, Zeng, H, Li, Y, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-04-03
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pharmacological inhibition of PRMT7 links arginine monomethylation to the cellular stress response.
Nat Commun, 11, 2020
8BS9
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BU of 8bs9 by Molmil
Structure of USP36 in complex with Ubiquitin-PA
Descriptor: Polyubiquitin-B, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 36, ...
Authors:O'Dea, R, Gersch, M.
Deposit date:2022-11-24
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Nat.Chem.Biol., 19, 2023
8BS3
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BU of 8bs3 by Molmil
Structure of USP36 in complex with Fubi-PA
Descriptor: 40S ribosomal protein S30, Ubiquitin carboxyl-terminal hydrolase 36, ZINC ION, ...
Authors:O'Dea, R, Gersch, M.
Deposit date:2022-11-24
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Nat.Chem.Biol., 19, 2023
5LEV
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BU of 5lev by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant)
Descriptor: UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND
Authors:Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2016-06-30
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
5M3C
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BU of 5m3c by Molmil
Structure of the hybrid domain (GGDEF-EAL) of PA0575 from Pseudomonas aeruginosa PAO1 at 2.8 Ang. with GTP and Ca2+ bound to the active site of the GGDEF domain
Descriptor: CALCIUM ION, Diguanylate cyclase, GUANOSINE-5'-TRIPHOSPHATE
Authors:Giardina, G, Brunotti, P, Cutruzzola, F, Rinaldo, S.
Deposit date:2016-10-14
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into the GTP-dependent allosteric control of c-di-GMP hydrolysis from the crystal structure of PA0575 protein from Pseudomonas aeruginosa.
FEBS J., 285, 2018
5WCJ
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BU of 5wcj by Molmil
Crystal Structure of Human Methyltransferase-like protein 13 in complex with SAH
Descriptor: Methyltransferase-like protein 13, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Loppnau, P, Seitova, A, Hutchinson, A, Hunt, B, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The dual methyltransferase METTL13 targets N terminus and Lys55 of eEF1A and modulates codon-specific translation rates.
Nat Commun, 9, 2018
6W6D
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BU of 6w6d by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor
Descriptor: (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2020-03-16
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6.
J.Med.Chem., 64, 2021
6TW3
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BU of 6tw3 by Molmil
HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera
Descriptor: (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION
Authors:Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
Deposit date:2020-01-12
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.352 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TW4
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BU of 6tw4 by Molmil
HumRadA22F in complex with compound 6
Descriptor: CALCIUM ION, DNA repair and recombination protein RadA, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
Authors:Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
Deposit date:2020-01-12
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TW9
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BU of 6tw9 by Molmil
HumRadA22F in complex with CAM833
Descriptor: CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ...
Authors:Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
Deposit date:2020-01-12
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TV3
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BU of 6tv3 by Molmil
HumRadA1 in complex with 3-amino-2-naphthoic acid
Descriptor: 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ...
Authors:Marsh, M.E, Hyvonen, M.
Deposit date:2020-01-08
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
5HZM
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BU of 5hzm by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:DONG, A, ZENG, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, MIN, J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
5MJD
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BU of 5mjd by Molmil
metNgb under oxygen at 80 bar
Descriptor: Neuroglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2016-11-30
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
6X9O
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BU of 6x9o by Molmil
High resolution cryoEM structure of huntingtin in complex with HAP40
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Harding, R.J, Deme, J.C, Lea, S.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-06-03
Release date:2020-06-17
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Huntingtin structure is orchestrated by HAP40 and shows a polyglutamine expansion-specific interaction with exon 1.
Commun Biol, 4, 2021

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