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4V8Y
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BU of 4v8y by Molmil
Cryo-EM reconstruction of the 80S-eIF5B-Met-itRNAMet Eukaryotic Translation Initiation Complex
分子名称: 18S RIBOSOMAL RNA, 25S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN S0-A, ...
著者Fernandez, I.S, Bai, X.C, Hussain, T, Kelley, A.C, Lorsch, J.R, Ramakrishnan, V, Scheres, S.H.W.
登録日2013-07-20
公開日2014-07-09
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Molecular architecture of a eukaryotic translational initiation complex.
Science, 342, 2013
3VSK
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BU of 3vsk by Molmil
Crystal structure of penicillin-binding protein 3 (PBP3) from methicilin-resistant Staphylococcus aureus in the apo form.
分子名称: Penicillin-binding protein 3
著者Yoshida, H, Tame, J.R, Park, S.Y.
登録日2012-04-25
公開日2012-10-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Crystal Structures of Penicillin-Binding Protein 3 (PBP3) from Methicillin-Resistant Staphylococcus aureus in the Apo and Cefotaxime-Bound Forms.
J.Mol.Biol., 423, 2012
6DQ4
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BU of 6dq4 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.392 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ9
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BU of 6dq9 by Molmil
Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
分子名称: 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献To be determined
To Be Published
6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQE
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BU of 6dqe by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献To be determined
To Be Published
3LN1
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BU of 3ln1 by Molmil
Structure of celecoxib bound at the COX-2 active site
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ...
著者Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L.
登録日2010-02-01
公開日2010-10-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
3MQE
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BU of 3mqe by Molmil
Structure of SC-75416 bound at the COX-2 active site
分子名称: (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, J.L, Limburg, D, Graneto, M.J, Springer, J, Rogier, J, Kiefer, J.R.
登録日2010-04-28
公開日2010-10-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
1E6C
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BU of 1e6c by Molmil
K15M MUTANT OF SHIKIMATE KINASE FROM ERWINIA CHRYSANTHEMI
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Maclean, J, Krell, T, Coggins, J.R, Lapthorn, A.J.
登録日2000-08-10
公開日2001-06-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and X-Ray Crystallographic Studies on Shikimate Kinase: The Important Structural Role of the P-Loop Lysine
Protein Sci., 10, 2001
6XLQ
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BU of 6xlq by Molmil
Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab
分子名称: Butyrophilin subfamily 3 member A1, CTX-2026 Heavy Chain, CTX-2026 Light Chain
著者Payne, K.K, Mine, J.A, Biswas, S, Chaurio, R.A, Perales-Puchalt, A, Anadon, C.M, Costich, T.L, Harro, C.M, Walrath, J, Ming, Q, Tcyganov, E, Buras, A.L, Rigolizzo, K.E, Mandal, G, Lajoie, J, Ophir, M, Tchou, J, Marchion, D, Luca, V.C, Bobrowicz, P, McLaughlin, B, Eskiocak, U, Schmidt, M, Cubillos-Ruiz, J.R, Rodriguez, P.C, Gabrilovich, D.I, Conejo-Garcia, J.R.
登録日2020-06-29
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells.
Science, 369, 2020
2RKM
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BU of 2rkm by Molmil
STRUCTURE OF OPPA COMPLEXED WITH LYS-LYS
分子名称: LYSINE, OLIGO-PEPTIDE BINDING PROTEIN, URANYL (VI) ION
著者Sleigh, S.H, Tame, J.R.H, Wilkinson, A.J.
登録日1997-03-25
公開日1997-07-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Peptide binding in OppA, the crystal structures of the periplasmic oligopeptide binding protein in the unliganded form and in complex with lysyllysine.
Biochemistry, 36, 1997
6RO3
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BU of 6ro3 by Molmil
2Yr-X: Lysozyme with Re Cluster 2 year on shelf
分子名称: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
著者Brink, A, Helliwell, J.R.
登録日2019-05-10
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging.
Iucrj, 6, 2019
6S5X
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BU of 6s5x by Molmil
Structure of RibR, the most N-terminal Rib domain from Group B Streptococcus species Streptococcus agalactiae
分子名称: Group B streptococcal R4 surface protein, SODIUM ION
著者Whelan, F, Turkenburg, J.P, Griffiths, S.C, Bateman, A, Potts, J.R.
登録日2019-07-02
公開日2019-12-11
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection.
Proc.Natl.Acad.Sci.USA, 116, 2019
6S5Y
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BU of 6s5y by Molmil
Structure of tandemly arrayed consecutive Rib domains (Rib2R) from Group B Streptococcal species Streptococcus agalactiae
分子名称: Group B streptococcal R4 surface protein
著者Whelan, F, Griffiths, S.C, Bateman, A, Potts, J.R.
登録日2019-07-02
公開日2019-12-11
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection.
Proc.Natl.Acad.Sci.USA, 116, 2019
8C07
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BU of 8c07 by Molmil
Structure of HECT E3 UBR5 forming K48 linked Ubiquitin chains
分子名称: 5-azanylpentan-2-one, E3 ubiquitin-protein ligase UBR5, Polyubiquitin-B
著者Hehl, L.A, Prabu, J.R, Schulman, B.A.
登録日2022-12-16
公開日2023-08-23
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural snapshots along K48-linked ubiquitin chain formation by the HECT E3 UBR5.
Nat.Chem.Biol., 20, 2024
8C06
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BU of 8c06 by Molmil
Structure of Dimeric HECT E3 Ubiquitin Ligase UBR5
分子名称: E3 ubiquitin-protein ligase UBR5, ZINC ION
著者Hehl, L.A, Prabu, J.R, Schulman, B.A.
登録日2022-12-16
公開日2023-08-23
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural snapshots along K48-linked ubiquitin chain formation by the HECT E3 UBR5.
Nat.Chem.Biol., 20, 2024
8CH7
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BU of 8ch7 by Molmil
RDC-refined Interleukin-4 (wild type) pH 5.6
分子名称: Interleukin-4
著者Vaz, D.C, Rodrigues, J.R, Loureiro-Ferreira, N, Mueller, T, Sebald, W, Redfield, C, Brito, R.M.M.
登録日2023-02-07
公開日2023-10-18
最終更新日2024-01-17
実験手法SOLUTION NMR
主引用文献Lessons on protein structure from interleukin-4: All disulfides are not created equal.
Proteins, 92, 2024
8CGF
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BU of 8cgf by Molmil
Interleukin-4 (wild type) pH 2.4
分子名称: Interleukin-4
著者Vaz, D.C, Rodrigues, J.R, Loureiro-Ferreira, N, Mueller, T, Sebald, W, Redfield, C, Brito, R.M.M.
登録日2023-02-04
公開日2023-10-18
最終更新日2024-01-17
実験手法SOLUTION NMR
主引用文献Lessons on protein structure from interleukin-4: All disulfides are not created equal.
Proteins, 92, 2024
8I5O
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BU of 8i5o by Molmil
Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum
分子名称: CALCIUM ION, GLYCEROL, beta-glucosidase
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5P
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BU of 8i5p by Molmil
Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5Q
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BU of 8i5q by Molmil
Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum with laminaribiose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5S
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BU of 8i5s by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with 2-deoxy-2-fluoroglucoside
分子名称: 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5R
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BU of 8i5r by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5T
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BU of 8i5t by Molmil
Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023

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