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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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-19
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2012-06-24
Release date:2012-11-14
Last modified:2021-05-19
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: GLYCEROL, HEMOLYTIC LECTIN LSLA, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Mancheno, J.M, Tateno, H, Goldstein, I.J, Martinez-Ripoll, M, Hermoso, J.A.
Deposit date:2004-07-14
Release date:2005-02-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: Bot.2110.4, Botulinum neurotoxin type B
Authors:Jin, R, Lam, K, Yao, G.
Deposit date:2017-04-28
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 5-(azidomethyl)-2-methylpyrimidin-4-amine, MAGNESIUM ION, thiM TPP riboswitch
Authors:Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R.
Deposit date:2013-12-10
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: (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, ...
Authors:Ottmann, C, Anders, C, Schumacher, B.
Deposit date:2012-06-26
Release date:2013-05-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 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
Authors:Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P.
Deposit date:2012-05-08
Release date:2013-02-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ...
Authors:Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P.
Deposit date:2024-05-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.651 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Der p 1 allergen, ...
Authors:Chruszcz, M, Vailes, L.D, Chapman, M.D, Pomes, A, Minor, W.
Deposit date:2017-05-05
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Cytosolic purine 5'-nucleotidase, PHOSPHATE ION
Authors: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.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION
Authors: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.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.151 Å)
Cite: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
Descriptor: (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
Authors: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)
Deposit date:2013-12-11
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
Descriptor: CHLORIDE ION, SULFATE ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-05-11
Release date:2012-07-11
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
Deposit date:2023-12-28
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite: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
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Cox, G, Kelso, J, Stogios, P.J, Savchenko, A, Anderson, W.F, Wright, G.D, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-05-08
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.391 Å)
Cite: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
Descriptor: Cytosolic purine 5'-nucleotidase, INOSINIC ACID
Authors: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)
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ...
Authors:Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
Deposit date:2023-12-29
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite: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
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION
Authors: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.
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Beclin 1-associated autophagy-related key regulator, Beclin-1, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
Authors:Chen, M, Hurley, J.H.
Deposit date:2024-06-11
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (6.84 Å)
Cite: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
Descriptor: 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-14
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.13 Å)
Cite: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
Descriptor: E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ...
Authors:Gareau, J.R, Reverter, D, Lima, C.D.
Deposit date:2011-11-05
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.602 Å)
Cite: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
Descriptor: Preneck appendage protein
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2009-03-24
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ...
Authors:Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
Deposit date:2023-12-30
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite: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
Descriptor: 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein
Authors: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)
Deposit date:2013-12-11
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite: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
Descriptor: 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, ...
Authors:Mislak, A.C, Frey, K.M, Anderson, K.S.
Deposit date:2013-12-18
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014

222415

数据于2024-07-10公开中

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