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5F9C
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BU of 5f9c by Molmil
Crystal structure of the G121R mutant of human phosphoglucomutase 1
分子名称: GLYCEROL, MAGNESIUM ION, Phosphoglucomutase-1, ...
著者Beamer, L.J.
登録日2015-12-09
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Induced Structural Disorder as a Molecular Mechanism for Enzyme Dysfunction in Phosphoglucomutase 1 Deficiency.
J.Mol.Biol., 428, 2016
5FCU
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CRYSTAL STRUCTURE OF THE INNER DOMAIN OF CLADE A/E HIV-1 GP120 IN COMPLEX WITH THE ADCC-POTENT RHESUS MACAQUE ANTIBODY JR4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, JR4 FAB HEAVY CHAIN, ...
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2015-12-15
公開日2016-03-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Paring Down HIV Env: Design and Crystal Structure of a Stabilized Inner Domain of HIV-1 gp120 Displaying a Major ADCC Target of the A32 Region.
Structure, 24, 2016
3MLT
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Crystal structure of anti-HIV-1 V3 Fab 2557 in complex with a UG1033 V3 peptide
分子名称: HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain
著者Kong, X.-P.
登録日2010-04-18
公開日2010-07-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
5F9W
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Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of CH235-lineage antibody CH235, Light chain of CH235-lineage antibody CH235, ...
著者Chen, L, Zhou, T, Kwong, P.D.
登録日2015-12-10
公開日2016-03-09
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.8911 Å)
主引用文献Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
6IMV
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BU of 6imv by Molmil
The complex structure of endo-beta-1,2-glucanase from Talaromyces funiculosus with sophorose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Tanaka, N, Nakajima, M, Narukawa-Nara, M, Matsunaga, H, Kamisuki, S, Aramasa, H, Takahashi, Y, Sugimoto, N, Abe, K, Miyanaga, A, Yamashita, T, Sugawara, F, Kamakura, T, Komba, S, Nakai, H, Taguchi, H.
登録日2018-10-23
公開日2019-04-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family.
J.Biol.Chem., 294, 2019
5AUZ
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BU of 5auz by Molmil
Crystal structure of DAPK1 in complex with genistein.
分子名称: Death-associated protein kinase 1, GENISTEIN
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5FGB
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BU of 5fgb by Molmil
Three dimensional structure of broadly neutralizing human anti - Hepatitis C virus (HCV) glycoprotein E2 Fab fragment HC33.4
分子名称: Anti-HCV E2 Fab HC84-1 heavy chain, Anti-HCV E2 Fab HC84-1 light chain, GLYCEROL, ...
著者Girard-Blanc, C, Rey, F.A, Krey, T.
登録日2015-12-20
公開日2016-01-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Antibody Response to Hypervariable Region 1 Interferes with Broadly Neutralizing Antibodies to Hepatitis C Virus.
J.Virol., 90, 2016
5B5J
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BU of 5b5j by Molmil
Hen egg white lysozyme with boron tracedrug UTX-97
分子名称: 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide, Lysozyme C, SODIUM ION
著者Morimoto, Y.
登録日2016-05-11
公開日2017-06-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structural Insight Into Protein Binding of Boron Tracedrug UTX-97 Revealed by the Co-Crystal Structure With Lysozyme at 1.26 angstrom Resolution.
J Pharm Sci, 105, 2016
3MLU
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BU of 3mlu by Molmil
Crystal structure of anti-HIV-1 V3 Fab 2557 in complex with a ZAM18 V3 peptide
分子名称: HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain
著者Kong, X.-P.
登録日2010-04-18
公開日2010-07-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MNW
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BU of 3mnw by Molmil
Crystal structure of the non-neutralizing HIV antibody 13H11 Fab fragment with a gp41 MPER-derived peptide in a helical conformation
分子名称: 1,2-ETHANEDIOL, ANTI-HIV-1 ANTIBODY 13H11 HEAVY CHAIN, ANTI-HIV-1 ANTIBODY 13H11 LIGHT CHAIN, ...
著者Nicely, N.I, Dennison, S.M, Kelsoe, G, Liao, H.-X, Alam, S.M, Haynes, B.F.
登録日2010-04-22
公開日2010-11-17
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a Non-Neutralizing HIV-1 gp41 Envelope Antibody Demonstrates Neutralization Mechanism of gp41 Antibodies
To be Published
3MNV
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BU of 3mnv by Molmil
Crystal structure of the non-neutralizing HIV antibody 13H11 Fab fragment
分子名称: 1,2-ETHANEDIOL, ANTI-HIV-1 ANTIBODY 13H11 HEAVY CHAIN, ANTI-HIV-1 ANTIBODY 13H11 LIGHT CHAIN, ...
著者Nicely, N.I, Dennison, S.M, Kelsoe, G, Liao, H.-X, Alam, S.M, Haynes, B.F.
登録日2010-04-22
公開日2010-11-17
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a non-neutralizing antibody to the HIV-1 gp41 membrane-proximal external region.
Nat.Struct.Mol.Biol., 17, 2010
6UF0
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BU of 6uf0 by Molmil
Crystal structure of N-(4-((4-methoxy-N-(2,2,2-trifluoroethyl)phenyl)sulfonamido)isoquinolin-1-yl)-N-((4-methoxyphenyl)sulfonyl)glycine bound to human Keap1 Kelch domain
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, Kelch-like ECH-associated protein 1, ...
著者Lazzara, P.R, David, B.P, Ankireddy, A, Richardson, B.G, Dye, K, Ratia, K.M, Reddy, S.P, Moore, T.W.
登録日2019-09-23
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Isoquinoline Kelch-like ECH-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-like 2 (KEAP1-NRF2) Inhibitors with High Metabolic Stability.
J.Med.Chem., 63, 2020
5ISE
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BU of 5ise by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor SA0649
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
著者Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
登録日2016-03-15
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of mouse CARM1 in complex with SAH at 1.8 Angstroms resolution
To Be Published
3MYP
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BU of 3myp by Molmil
Crystal structure of tagatose-1,6-bisphosphate aldolase from Staphylococcus aureus
分子名称: Tagatose 1,6-diphosphate aldolase
著者Lee, S.J, Kim, H.S, Kim, D.J, Yoon, H.J, Kim, K.H, Yoon, J.Y, Suh, S.W.
登録日2010-05-10
公開日2011-01-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal structures of LacD from Staphylococcus aureus and LacD.1 from Streptococcus pyogenes: Insights into substrate specificity and virulence gene regulation
Febs Lett., 585, 2011
3MVG
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BU of 3mvg by Molmil
Native structure of IRIP, a type I ribosome inactivating protein from Iris hollandica var. at 1.25 A
分子名称: GLYCEROL, Ribosome inactivating type 1 protein, SULFATE ION
著者Meyer, A, Weber, W, Singh, T.P, Betzel, C.
登録日2010-05-04
公開日2011-06-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Native structure of IRIP, a type I ribosome inactivating protein from Iris hollandica var. at 1.25 A
to be published
6C8X
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BU of 6c8x by Molmil
Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
分子名称: CHLORIDE ION, GLYCEROL, Protease, ...
著者Windsor, I.W, Raines, R.T, Forest, K.T.
登録日2018-01-25
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.613 Å)
主引用文献Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
7Z2D
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BU of 7z2d by Molmil
Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with rilpivirine
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H
著者Singh, A.K, Das, K.
登録日2022-02-26
公開日2022-07-20
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z2E
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BU of 7z2e by Molmil
Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with rilpivirine
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H, ...
著者Singh, A.K, Das, K.
登録日2022-02-26
公開日2022-07-20
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022
5I5Z
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BU of 5i5z by Molmil
CDK8-CYCC IN COMPLEX WITH 8-(1-Methyl-2,2-dioxo-2,3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-[1,6]naphthyridine-2-carboxylic acid methylamide
分子名称: Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID, ...
著者Musil, D, Blagg, J, Mallinger, A.
登録日2016-02-15
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.
Acs Med.Chem.Lett., 7, 2016
1KMQ
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BU of 1kmq by Molmil
Crystal Structure of a Constitutively Activated RhoA Mutant (Q63L)
分子名称: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Longenecker, K, Read, P, Lin, S.-K, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S.
登録日2001-12-17
公開日2003-05-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of a constitutively activated RhoA mutant (Q63L) at 1.55 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
6B5K
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BU of 6b5k by Molmil
Mycobacterium tuberculosis RmlA in complex with Mg/dTTP
分子名称: 1,2-ETHANEDIOL, Glucose-1-phosphate thymidylyltransferase, MAGNESIUM ION, ...
著者Brown, H.A, Holden, H.A.
登録日2017-09-29
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of glucose-1-phosphate thymidylyltransferase from Mycobacterium tuberculosis reveals the location of an essential magnesium ion in the RmlA-type enzymes.
Protein Sci., 27, 2018
6CDF
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BU of 6cdf by Molmil
Human CtBP1 (28-378)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, CALCIUM ION, ...
著者Royer, W.E, Bellesis, A.G.
登録日2018-02-08
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Assembly of human C-terminal binding protein (CtBP) into tetramers.
J. Biol. Chem., 293, 2018
6CJ5
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BU of 6cj5 by Molmil
Crystal Structure of Mnk2-D228G in Complex With Inhibitor
分子名称: 3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Han, Q.
登録日2018-02-26
公開日2018-05-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
6CKI
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BU of 6cki by Molmil
Co-crystal structure of MNK2 in Complex With Inhibitor
分子名称: 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Han, Q.
登録日2018-02-28
公開日2018-05-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
3FIQ
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BU of 3fiq by Molmil
Odorant Binding Protein OBP1
分子名称: 1,2-ETHANEDIOL, Odorant-binding protein 1F
著者White, S.A.
登録日2008-12-12
公開日2009-05-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structure of rat odorant-binding protein OBP1 at 1.6 A resolution
Acta Crystallogr.,Sect.D, 65, 2009

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