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6K20
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BU of 6k20 by Molmil
Structure of Apo YdiU
Descriptor: MAGNESIUM ION, Protein adenylyltransferase SelO
Authors:Li, B, Yang, Y, Ma, Y.
Deposit date:2019-05-13
Release date:2020-05-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure of Apo-YdiU
To Be Published
4F7W
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BU of 4f7w by Molmil
Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with N-pentylpantothenamide
Descriptor: (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ...
Authors:Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2012-05-16
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides.
Proteins, 81, 2013
4GI7
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BU of 4gi7 by Molmil
Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with a pantothenate analogue
Descriptor: (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ...
Authors:Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2012-08-08
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides.
Proteins, 81, 2013
5WQ2
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BU of 5wq2 by Molmil
Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
Descriptor: 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SULFATE ION
Authors:Li, B, Yuan, Z.
Deposit date:2016-11-22
Release date:2017-11-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
To Be Published
7D3U
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BU of 7d3u by Molmil
Structure of Mrp complex from Dietzia sp. DQ12-45-1b
Descriptor: Cation antiporter, DODECYL-BETA-D-MALTOSIDE, Monovalent Na+/H+ antiporter subunit A, ...
Authors:Li, B, Zhang, K.D, Wu, X.L, Zhang, X.C.
Deposit date:2020-09-21
Release date:2020-12-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the Dietzia Mrp complex reveals molecular mechanism of this giant bacterial sodium proton pump.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LNA
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BU of 6lna by Molmil
YdiU complex with AMPNPP and Mn2+
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, B, Yang, Y, Ma, Y.
Deposit date:2019-12-28
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:The YdiU Domain Modulates Bacterial Stress Signaling through Mn 2+ -Dependent UMPylation.
Cell Rep, 32, 2020
5HKP
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BU of 5hkp by Molmil
Crystal structure of mouse Tankyrase/human TRF1 complex
Descriptor: Tankyrase-1, Telomeric repeat-binding factor 1
Authors:Wang, Z, Li, B, Rao, Z, Xu, W.
Deposit date:2016-01-14
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a tankyrase 1-telomere repeat factor 1 complex.
Acta Crystallogr F Struct Biol Commun, 72, 2016
7M1N
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BU of 7m1n by Molmil
Wild-type Hydrogenobacter thermophilus ferredoxin 1
Descriptor: IRON/SULFUR CLUSTER, Putative ferredoxin
Authors:Steindel, P.S, Li, B, Elliott, S.J.
Deposit date:2021-03-13
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Maximizing (Electro)catalytic CO2 Reduction with a Ferredoxin-Based Reduction Potential Gradient
Acs Catalysis, 11, 2021
7M1O
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BU of 7m1o by Molmil
Hydrogenobacter thermophilus ferredoxin 1 S64A variant
Descriptor: IRON/SULFUR CLUSTER, Putative ferredoxin
Authors:Steindel, P.S, Li, B, Elliott, S.J.
Deposit date:2021-03-13
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98388708 Å)
Cite:Maximizing (Electro)catalytic CO2 Reduction with a Ferredoxin-Based Reduction Potential Gradient
Acs Catalysis, 11, 2021
7TXO
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BU of 7txo by Molmil
Selenomethionine Labeled Structure of RexT
Descriptor: CHLORIDE ION, Transcriptional regulator
Authors:Bridwell-Rabb, J, Li, B.
Deposit date:2022-02-09
Release date:2022-03-23
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT.
Commun Biol, 5, 2022
7TXM
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BU of 7txm by Molmil
Oxidized Structure of RexT
Descriptor: HYDROGEN PEROXIDE, Transcriptional regulator
Authors:Bridwell-Rabb, J, Li, B.
Deposit date:2022-02-09
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT.
Commun Biol, 5, 2022
7TXN
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BU of 7txn by Molmil
Reduced Structure of RexT
Descriptor: CHLORIDE ION, GLYCEROL, Transcriptional regulator
Authors:Bridwell-Rabb, J, Li, B.
Deposit date:2022-02-09
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and mechanistic basis for redox sensing by the cyanobacterial transcription regulator RexT.
Commun Biol, 5, 2022
4L7F
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BU of 4l7f by Molmil
Co-crystal Structure of JNK1 and AX13587
Descriptor: Mitogen-activated protein kinase 8, N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
Authors:Walter, R.L, Ranieri, G.M, Riggs, A.M, Weissig, H, Li, B, Shreder, K.R.
Deposit date:2013-06-13
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
7XXH
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BU of 7xxh by Molmil
Cryo-EM structure of the purinergic receptor P2Y1R in complex with 2MeSADP and G11
Descriptor: 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), Guanine nucleotide-binding protein G(11) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tan, Q, Li, B, Han, S, Zhao, Q, Wu, B.
Deposit date:2022-05-30
Release date:2023-06-07
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into signal transduction of the purinergic receptors P2Y1R and P2Y12R.
Protein Cell, 14, 2023
7XXI
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BU of 7xxi by Molmil
Cryo-EM structure of the purinergic receptor P2Y12R in complex with 2MeSADP and Gi
Descriptor: 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Tan, Q, Li, B, Han, S, Zhao, Q, Wu, B.
Deposit date:2022-05-30
Release date:2023-06-07
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into signal transduction of the purinergic receptors P2Y1R and P2Y12R.
Protein Cell, 14, 2023
7DAS
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BU of 7das by Molmil
Mouse Toll-like receptor 3 ectodomain in complex with lncRNA Rmrp in lapped form
Descriptor: RNA component of mitochondrial RNAase P (Rmrp), RNase MRP RNA, Toll-like receptor 3
Authors:Li, B, Cao, X.
Deposit date:2020-10-18
Release date:2021-10-20
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Endosomal lncRNA Rmrp is required for TLR3 innate sensing by engaging TLR3 dimerization
To Be Published
7DA7
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BU of 7da7 by Molmil
Mouse Toll-like receptor 3 ectodomain in complex with lncRNA Rmrp in elongated form
Descriptor: RNA component of mitochondrial RNAase P (Rmrp), RNase MRP RNA, Toll-like receptor 3
Authors:Li, B, Cao, X.
Deposit date:2020-10-15
Release date:2021-10-20
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Endosomal lncRNA Rmrp is required for TLR3 innate sensing by engaging TLR3 dimerization
To Be Published
1CZ8
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BU of 1cz8 by Molmil
VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH AN AFFINITY MATURED ANTIBODY
Descriptor: HEAVY CHAIN OF NEUTRALIZING ANTIBODY, LIGHT CHAIN OF NEUTRALIZING ANTIBODY, SULFATE ION, ...
Authors:Chen, Y, Wiesmann, C, Fuh, G, Li, B, Christinger, H.W, McKay, P, de Vos, A.M, Lowman, H.B.
Deposit date:1999-09-01
Release date:2000-03-20
Last modified:2017-04-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selection and analysis of an optimized anti-VEGF antibody: crystal structure of an affinity-matured Fab in complex with antigen.
J.Mol.Biol., 293, 1999
1RWE
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BU of 1rwe by Molmil
Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues
Descriptor: CHLORIDE ION, Insulin, PHENOL, ...
Authors:Wan, Z, Xu, B, Chu, Y.C, Li, B, Nakagawa, S.H, Qu, Y, Hu, S.Q, Katsoyannis, P.G, Weiss, M.A.
Deposit date:2003-12-16
Release date:2005-02-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enhancing the activity of insulin at the receptor interface: crystal structure and photo-cross-linking of A8 analogues.
Biochemistry, 43, 2004
2C0I
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BU of 2c0i by Molmil
Src family kinase Hck with bound inhibitor A-420983
Descriptor: CALCIUM ION, N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK
Authors:Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A.
Deposit date:2005-09-03
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
2C0O
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BU of 2c0o by Molmil
Src family kinase Hck with bound inhibitor A-770041
Descriptor: CALCIUM ION, N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK
Authors:Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A.
Deposit date:2005-09-06
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
2C0T
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BU of 2c0t by Molmil
Src family kinase Hck with bound inhibitor A-641359
Descriptor: CALCIUM ION, N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK
Authors:Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A.
Deposit date:2005-09-07
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
1KAT
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BU of 1kat by Molmil
Solution Structure of a Phage-Derived Peptide Antagonist in Complex with Vascular Endothelial Growth Factor
Descriptor: Phage-Derived Peptide Antagonist, Vascular Endothelial Growth Factor
Authors:Pan, B, Li, B, Russell, S.J, Tom, J.Y.K, Cochran, A.G, Fairbrother, W.J.
Deposit date:2001-11-02
Release date:2002-11-02
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution Structure of a Phage-derived Peptide Antagonist in Complex with Vascular Endothelial Growth Factor
J.Mol.Biol., 316, 2002
5VIF
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BU of 5vif by Molmil
Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Descriptor: 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ...
Authors:Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H.
Deposit date:2017-04-15
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
5VIE
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BU of 5vie by Molmil
Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Descriptor: 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, ...
Authors:Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H.
Deposit date:2017-04-15
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017

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