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4O5F
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BU of 4o5f by Molmil
Crystal structure of Type III pantothenate kinase from Burkholderia thailandensis in complex with pantothenate and phosphate
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-19
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of Type III pantothenate kinase from Burkholderia thailandensis in complex with pantothenate and phosphate
To be Published
4FQ1
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BU of 4fq1 by Molmil
Crystal Structure of PGT121 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain
著者Scharf, L, Bjorkman, P.J.
登録日2012-06-24
公開日2012-11-14
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Complex-type N-glycan recognition by potent broadly neutralizing HIV antibodies.
Proc.Natl.Acad.Sci.USA, 109, 2012
1W3A
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BU of 1w3a by Molmil
Three dimensional structure of a novel pore-forming lectin from the mushroom Laetiporus sulphureus
分子名称: GLYCEROL, HEMOLYTIC LECTIN LSLA, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Mancheno, J.M, Tateno, H, Goldstein, I.J, Martinez-Ripoll, M, Hermoso, J.A.
登録日2004-07-14
公開日2005-02-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars
J.Biol.Chem., 280, 2005
5VMR
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BU of 5vmr by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.2110.4
分子名称: Bot.2110.4, Botulinum neurotoxin type B
著者Jin, R, Lam, K, Yao, G.
登録日2017-04-28
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
4NYA
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BU of 4nya by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with 5-(azidomethyl)-2-methylpyrimidin-4-amine
分子名称: 5-(azidomethyl)-2-methylpyrimidin-4-amine, MAGNESIUM ION, thiM TPP riboswitch
著者Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R.
登録日2013-12-10
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
4FR3
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BU of 4fr3 by Molmil
Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer 16-O-Me-FC-H
分子名称: (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside, 14-3-3 protein sigma, MAGNESIUM ION, ...
著者Ottmann, C, Anders, C, Schumacher, B.
登録日2012-06-26
公開日2013-05-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of k(+) channels at the cell surface.
Chem.Biol., 20, 2013
4F2J
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BU of 4f2j by Molmil
Crystal structure of ZNF217 bound to DNA, P6522 crystal form
分子名称: 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', ZINC ION, Zinc finger protein 217
著者Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P.
登録日2012-05-08
公開日2013-02-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献New insights into DNA recognition by zinc fingers revealed by structural analysis of the oncoprotein ZNF217
J.Biol.Chem., 288, 2013
8ZN2
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BU of 8zn2 by Molmil
Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.65 A resolution.
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ...
著者Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P.
登録日2024-05-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.65 A resolution.
To Be Published
5VPH
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BU of 5vph by Molmil
CRYSTAL STRUCTURE OF DER P 1 COMPLEXED WITH FAB 4C1
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Der p 1 allergen, ...
著者Chruszcz, M, Vailes, L.D, Chapman, M.D, Pomes, A, Minor, W.
登録日2017-05-05
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Determinants For Antibody Binding On Group 1 House Dust Mite Allergens.
J.Biol.Chem., 287, 2012
6DDK
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BU of 6ddk by Molmil
Crystal structure of the double mutant (D52N/R367Q) of the full-length NT5C2 in the basal state
分子名称: Cytosolic purine 5'-nucleotidase, PHOSPHATE ION
著者Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
登録日2018-05-10
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
6DE1
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BU of 6de1 by Molmil
Crystal structure of the single mutant (D52N) of the full-length NT5C2 in the active state
分子名称: Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION
著者Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
登録日2018-05-10
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
4NYX
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BU of 4nyx by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
分子名称: (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-12-11
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
4F54
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BU of 4f54 by Molmil
Crystal structure of a DUF4136 family protein (BT2437) from Bacteroides thetaiotaomicron VPI-5482 at 1.60 A resolution
分子名称: CHLORIDE ION, SULFATE ION, Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2012-05-11
公開日2012-07-11
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a hypothetical protein (BT2437) from Bacteroides thetaiotaomicron VPI-5482 at 1.60 A resolution
To be published
8XMT
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BU of 8xmt by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron EG.5.1 spike protein(6P), RBD-closed state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
登録日2023-12-28
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structural basis of receptor binding and immune escape for SARS-CoV-2 Omicron BA.2.86, EG.5, EG.5.1 and HV.1 sub-variants
To Be Published
5VQB
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BU of 5vqb by Molmil
Crystal structure of rifampin monooxygenase from Streptomyces venezuelae, complex with FAD
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Cox, G, Kelso, J, Stogios, P.J, Savchenko, A, Anderson, W.F, Wright, G.D, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-05-08
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.391 Å)
主引用文献Rox, a Rifamycin Resistance Enzyme with an Unprecedented Mechanism of Action.
Cell Chem Biol, 25, 2018
6DDH
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BU of 6ddh by Molmil
Crystal structure of the double mutant (D52N/R367Q) of NT5C2-537X in the active state, Northeast Structural Genomics Target
分子名称: Cytosolic purine 5'-nucleotidase, INOSINIC ACID
著者Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2018-05-10
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
8XN5
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BU of 8xn5 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron EG.5.1 spike protein(6P) in complex with human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ...
著者Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
登録日2023-12-29
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structural basis of receptor binding and immune escape for SARS-CoV-2 Omicron BA.2.86, EG.5, EG.5.1 and HV.1 sub-variants
To Be Published
6DE0
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BU of 6de0 by Molmil
Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the active state
分子名称: Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION
著者Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L.
登録日2018-05-10
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
9C82
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BU of 9c82 by Molmil
Structure of human ULK1C:PI3KC3-C1 supercomplex
分子名称: Beclin 1-associated autophagy-related key regulator, Beclin-1, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
著者Chen, M, Hurley, J.H.
登録日2024-06-11
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (6.84 Å)
主引用文献Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv, 2023
8XFV
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BU of 8xfv by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
分子名称: 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
著者Li, G.-B, Wang, X.-Y.
登録日2023-12-14
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
3UIO
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BU of 3uio by Molmil
Complex between human RanGAP1-SUMO2, UBC9 and the IR1 domain from RanBP2 containing IR2 Motif II
分子名称: E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ...
著者Gareau, J.R, Reverter, D, Lima, C.D.
登録日2011-11-05
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2.
J.Biol.Chem., 287, 2012
3GQH
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BU of 3gqh by Molmil
Crystal Structure of the Bacteriophage phi29 gene product 12 C-terminal fragment
分子名称: Preneck appendage protein
著者Xiang, Y, Rossmann, M.G.
登録日2009-03-24
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic insights into the autocatalytic assembly mechanism of a bacteriophage tail spike.
Mol.Cell, 34, 2009
8XNK
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BU of 8xnk by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron HV.1 spike protein(6P) in complex with human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ...
著者Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
登録日2023-12-30
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Structural basis of receptor binding and immune escape for SARS-CoV-2 Omicron BA.2.86, EG.5, EG.5.1 and HV.1 sub-variants
To Be Published
4NYV
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BU of 4nyv by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
分子名称: 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, Martin, S, Monteiro, O.P, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-12-11
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
TO BE PUBLISHED
4O44
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BU of 4o44 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor
分子名称: 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
著者Mislak, A.C, Frey, K.M, Anderson, K.S.
登録日2013-12-18
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.889 Å)
主引用文献A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014

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