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5K8H
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BU of 5k8h by Molmil
The X-ray crystal structure of a parallel poly(rA) double helix generated by rA7 at acidic pH
Descriptor: AMMONIUM ION, RNA 7-mer
Authors:Gleghorn, M.L, Maquat, L.E.
Deposit date:2016-05-30
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:Crystal structure of a poly(rA) staggered zipper at acidic pH: evidence that adenine N1 protonation mediates parallel double helix formation.
Nucleic Acids Res., 44, 2016
7MK2
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BU of 7mk2 by Molmil
CryoEM Structure of NPR1
Descriptor: Regulatory protein NPR1, ZINC ION
Authors:Kumar, S, Zhou, Y, Dillard, L, Borgnia, M, Bartesaghi, A, Zhou, P.
Deposit date:2021-04-21
Release date:2022-03-16
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
6V97
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BU of 6v97 by Molmil
Kindlin-3 double deletion mutant short form
Descriptor: Fermitin family homolog 3
Authors:Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q.
Deposit date:2019-12-13
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.381 Å)
Cite:Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets.
Blood Adv, 4, 2020
6V9G
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BU of 6v9g by Molmil
Kindlin-3 double deletion mutant long form
Descriptor: Fermitin family homolog 3
Authors:Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q.
Deposit date:2019-12-13
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets.
Blood Adv, 4, 2020
3K9X
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BU of 3k9x by Molmil
X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
Descriptor: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
Authors:Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
Deposit date:2009-10-16
Release date:2009-12-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
3HPT
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BU of 3hpt by Molmil
Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine
Descriptor: 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Klei, H.E, Ghosh, K, Rushith, A, Kish, K.
Deposit date:2009-06-04
Release date:2009-11-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5UL5
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BU of 5ul5 by Molmil
Crystal structure of RPE65 in complex with MB-004 and palmitate
Descriptor: (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, FE (II) ION, ...
Authors:Kiser, P.D, Palczewski, K.
Deposit date:2017-01-24
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
5ULG
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BU of 5ulg by Molmil
Crystal structure of RPE65 in complex with MB-008 and palmitate
Descriptor: (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D, Palczewski, K.
Deposit date:2017-01-24
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
3GYN
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BU of 3gyn by Molmil
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor
Descriptor: N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2009-04-04
Release date:2009-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
6JNL
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BU of 6jnl by Molmil
REF6 ZnF2-4-NAC004 complex
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*TP*CP*TP*CP*TP*GP*TP*TP*TP*TP*G)-3'), ...
Authors:Yao, Q.Q, Wu, B.X, Ma, J.B.
Deposit date:2019-03-17
Release date:2019-03-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:DNA methylation repels targeting of Arabidopsis REF6.
Nat Commun, 10, 2019
3DBN
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BU of 3dbn by Molmil
Crystal structure of the Streptoccocus suis serotype2 D-mannonate dehydratase in complex with its substrate
Descriptor: D-MANNONIC ACID, MANGANESE (II) ION, Mannonate dehydratase
Authors:Peng, H, Zhang, Q, Gao, F, Gao, G.F.
Deposit date:2008-06-02
Release date:2009-06-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism
J.Bacteriol., 191, 2009
6JNM
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BU of 6jnm by Molmil
REF6 ZnF2-4-NAC004-mC3 complex
Descriptor: DNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*TP*(5CM)P*TP*GP*TP*TP*TP*TP*G)-3'), Lysine-specific demethylase REF6, ...
Authors:Yao, Q.Q, Wu, B.X, Ma, J.B.
Deposit date:2019-03-17
Release date:2019-03-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:DNA methylation repels targeting of Arabidopsis REF6.
Nat Commun, 10, 2019
6JNN
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BU of 6jnn by Molmil
REF6 ZnF2-4-NAC004-mC1 complex
Descriptor: DNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*(5CM)P*TP*CP*TP*GP*TP*TP*TP*TP*G)-3'), Lysine-specific demethylase REF6, ...
Authors:Yao, Q.Q, Wu, B.X, Ma, J.B.
Deposit date:2019-03-17
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:DNA methylation repels targeting of Arabidopsis REF6.
Nat Commun, 10, 2019
5F59
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BU of 5f59 by Molmil
The crystal structure of MLL3 SET domain
Descriptor: Histone-lysine N-methyltransferase 2C, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-04
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
6NYH
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BU of 6nyh by Molmil
Structure of human RIPK1 kinase domain in complex with GNE684
Descriptor: (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
Authors:Fong, R, Lupardus, P.J.
Deposit date:2019-02-11
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases.
Cell Death Differ., 27, 2020
5F6L
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BU of 5f6l by Molmil
The crystal structure of MLL1 (N3861I/Q3867L) in complex with RbBP5 and Ash2L
Descriptor: Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-06
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F5E
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BU of 5f5e by Molmil
The Crystal Structure of MLL1 SET domain with N3816I/Q3867L mutation
Descriptor: Histone-lysine N-methyltransferase 2A, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-04
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F6K
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BU of 5f6k by Molmil
Crystal structure of the MLL3-Ash2L-RbBP5 complex
Descriptor: Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Li, Y, Lei, M, Chen, Y.
Deposit date:2015-12-06
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.411 Å)
Cite:Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
6UD7
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BU of 6ud7 by Molmil
Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ...
Authors:Bussiere, D.E, Shu, W, Xie, L, Knapp, M.
Deposit date:2019-09-18
Release date:2019-12-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
8TQD
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BU of 8tqd by Molmil
NF-Kappa-B1 Bound with a Covalent Inhibitor
Descriptor: 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit
Authors:Hilbert, B.J.
Deposit date:2023-08-07
Release date:2024-04-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:DrugMap: A quantitative pan-cancer analysis of cysteine ligandability.
Cell, 187, 2024
6UE5
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BU of 6ue5 by Molmil
Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
Descriptor: 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E.
Deposit date:2019-09-20
Release date:2019-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
6LPF
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BU of 6lpf by Molmil
The crystal structure of human cytoplasmic LRS
Descriptor: 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, 5'-O-(L-leucylsulfamoyl)adenosine, GLYCEROL, ...
Authors:Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
Deposit date:2020-01-10
Release date:2020-03-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
6PBT
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BU of 6pbt by Molmil
Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 2 hours
Descriptor: 1,2-ETHANEDIOL, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:McFarlane, J.S, Lamb, A.L.
Deposit date:2019-06-14
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
6LR6
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BU of 6lr6 by Molmil
The crystal structure of human cytoplasmic LRS
Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ...
Authors:Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
Deposit date:2020-01-15
Release date:2020-03-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.009 Å)
Cite:Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
6PBN
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BU of 6pbn by Molmil
Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 1 hour
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, ...
Authors:McFarlane, J.S, Lamb, A.L.
Deposit date:2019-06-14
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019

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