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4YEP
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BU of 4yep by Molmil
L4b Domain of Human Laminin alpha-2
分子名称: 1,2-ETHANEDIOL, Laminin subunit alpha-2
著者Toot, M, Gat, Y, Fass, D.
登録日2015-02-24
公開日2015-05-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Laminin L4 domain structure resembles adhesion modules in ephrin receptor and other transmembrane glycoproteins.
Febs J., 282, 2015
4Y9N
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BU of 4y9n by Molmil
PA3825-EAL Metal-Free-Apo Structure - Magnesium Co-crystallisation
分子名称: PA3825-EAL, PHOSPHATE ION
著者Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure of PA3825 from P. aeruginosa bound to cyclic di-GMP and pGpG: new insights for a potential three-metal catalytic mechanism of EAL domains
To Be Published
4YH3
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BU of 4yh3 by Molmil
Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a)
分子名称: 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4
著者White, A, Lakshminarasimhan, D, Suto, R.K.
登録日2015-02-26
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
1FPY
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BU of 1fpy by Molmil
CRYSTAL STRUCTURE OF GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM WITH INHIBITOR PHOSPHINOTHRICIN
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE SYNTHETASE, MANGANESE (II) ION, ...
著者Gill, H.S, Eisenberg, D.
登録日2000-08-31
公開日2001-04-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The crystal structure of phosphinothricin in the active site of glutamine synthetase illuminates the mechanism of enzymatic inhibition.
Biochemistry, 40, 2001
8FR7
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BU of 8fr7 by Molmil
A hinge glycan regulates spike bending and impacts coronavirus infectivity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pintilie, G, Wilson, E, Chmielewski, D, Schmid, M.F, Jin, J, Chen, M, Singharoy, A, Chiu, W.
登録日2023-01-06
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献A hinge glycan regulates spike bending and impacts coronavirus infectivity
To Be Published
4YEW
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BU of 4yew by Molmil
HUab-19bp
分子名称: DNA-binding protein HU-alpha, DNA-binding protein HU-beta, synthetic DNA strand
著者Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D.
登録日2015-02-24
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.683 Å)
主引用文献HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
1FMN
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BU of 1fmn by Molmil
SOLUTION STRUCTURE OF FMN-RNA APTAMER COMPLEX, NMR, 5 STRUCTURES
分子名称: FLAVIN MONONUCLEOTIDE, RNA (5'-R(*GP*GP*CP*GP*UP*GP*UP*AP*GP*GP *AP*UP*AP*UP*GP*CP*UP*UP*CP*GP*GP*CP*AP*GP*AP*AP*GP *GP*AP*CP*AP*CP*GP*CP*C)-3')
著者Fan, P, Suri, A.K, Fiala, R, Live, D, Patel, D.J.
登録日1995-12-04
公開日1996-07-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Molecular recognition in the FMN-RNA aptamer complex.
J.Mol.Biol., 258, 1996
8FEC
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BU of 8fec by Molmil
Structure of J-PKAc chimera complexed with Aplithianine derivative
分子名称: 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
登録日2022-12-06
公開日2023-10-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
1FRA
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BU of 1fra by Molmil
TERTIARY STRUCTURE OF ERABUTOXIN B IN AQUEOUS SOLUTION ELUCIDATED BY TWO-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE
分子名称: ERABUTOXIN B
著者Hatanaka, H, Kohda, D, Inagaki, F.
登録日1994-03-28
公開日1994-06-22
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Tertiary structure of erabutoxin b in aqueous solution as elucidated by two-dimensional nuclear magnetic resonance.
J.Mol.Biol., 240, 1994
8FE2
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BU of 8fe2 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine A
分子名称: 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
登録日2022-12-05
公開日2023-10-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
4PGJ
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BU of 4pgj by Molmil
Human heavy-chain domain antibody in complex with hen egg-white lysozyme
分子名称: Human heavy chain domain antibody, Lysozyme C
著者Christ, D, Langley, D.B, Rouet, R.
登録日2014-05-02
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fully Human VH Single Domains That Rival the Stability and Cleft Recognition of Camelid Antibodies.
J.Biol.Chem., 290, 2015
1FHT
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BU of 1fht by Molmil
RNA-BINDING DOMAIN OF THE U1A SPLICEOSOMAL PROTEIN U1A117, NMR, 43 STRUCTURES
分子名称: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
著者Allain, F.H.-T, Gubser, C.C, Howe, P.W.A, Nagai, K, Neuhaus, D, Varani, G.
登録日1996-02-21
公開日1996-07-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal RNP domain of U1A protein: the role of C-terminal residues in structure stability and RNA binding.
J.Mol.Biol., 257, 1996
6PNJ
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BU of 6pnj by Molmil
Structure of Photosystem I Acclimated to Far-red Light
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Gisriel, C.J, Shen, G, Kurashov, V, Ho, M, Zhang, S, Williams, D, Golbeck, J.H, Fromme, P, Bryant, D.A.
登録日2019-07-02
公開日2020-02-12
最終更新日2020-02-26
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The structure of Photosystem I acclimated to far-red light illuminates an ecologically important acclimation process in photosynthesis
Sci Adv, 6, 2020
8FZW
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BU of 8fzw by Molmil
Thaumatin crystallized in cyclic olefin copolymer-based microfluidic chips
分子名称: L(+)-TARTARIC ACID, Thaumatin I
著者Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L.
登録日2023-01-30
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
1FIG
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BU of 1fig by Molmil
ROUTES TO CATALYSIS: STRUCTURE OF A CATALYTIC ANTIBODY AND COMPARISON WITH ITS NATURAL COUNTERPART
分子名称: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, IGG1-KAPPA 1F7 FAB (HEAVY CHAIN), IGG1-KAPPA 1F7 FAB (LIGHT CHAIN)
著者Haynes, M.R, Stura, E.A, Hilvert, D, Wilson, I.A.
登録日1994-01-07
公開日1994-05-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Routes to catalysis: structure of a catalytic antibody and comparison with its natural counterpart.
Science, 263, 1994
1GJZ
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BU of 1gjz by Molmil
Solution structure of a dimeric N-terminal fragment of human ubiquitin
分子名称: UBIQUITIN
著者Bolton, D, Evans, P.A, Stott, K, Broadhurst, R.W.
登録日2001-08-06
公開日2001-12-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and Properties of a Dimeric N-Terminal Fragment of Human Ubiquitin.
J.Mol.Biol., 314, 2001
4YTN
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BU of 4ytn by Molmil
Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with N-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide
分子名称: Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K.
登録日2015-03-18
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献New Insights into the Design of Inhibitors Targeted for Parasitic Anaerobic Energy Metabolism
To Be Published
1FZX
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BU of 1fzx by Molmil
NMR SOLUTION STRUCTURE OF THE DNA DODECAMER GGCAAAAAACGG
分子名称: 5'-D(*CP*CP*GP*TP*TP*TP*TP*TP*TP*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*AP*AP*AP*AP*AP*CP*GP*G)-3'
著者MacDonald, D, Herbert, K, Zhang, X, Pologruto, T, Lu, P.
登録日2000-10-04
公開日2001-03-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of an A-tract DNA bend.
J.Mol.Biol., 306, 2001
1G0F
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BU of 1g0f by Molmil
SITE-SPECIFIC MUTANT (HIS64 REPLACED WITH ALA) OF HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Duda, D, McKenna, R.
登録日2000-10-06
公開日2000-10-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and kinetic analysis of the chemical rescue of the proton transfer function of carbonic anhydrase II.
Biochemistry, 40, 2001
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
登録日2022-06-28
公開日2022-08-24
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
8CXQ
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BU of 8cxq by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 1-22
分子名称: Spike glycoprotein, pan-sarbecovirus nanobody 1-22
著者Huang, W, Taylor, D.
登録日2022-05-22
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CY6
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BU of 8cy6 by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-65
分子名称: Spike glycoprotein, pan-sarbecovirus nanobody 2-65
著者Huang, W, Taylor, D.
登録日2022-05-23
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8FAR
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BU of 8far by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: I432-1-CC
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-11-28
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.66 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CYC
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BU of 8cyc by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-34
分子名称: Spike glycoprotein, pan-sarbecovirus nanobody 2-34
著者Huang, W, Taylor, D.
登録日2022-05-23
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
1G68
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BU of 1g68 by Molmil
PSE-4 CARBENICILLINASE, WILD TYPE
分子名称: BETA-LACTAMASE PSE-4, SULFATE ION
著者Lim, D, Sanschagrin, F, Passmore, L, De Castro, L, Levesque, R.C, Strynadka, N.C.J.
登録日2000-11-03
公開日2001-02-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insights into the molecular basis for the carbenicillinase activity of PSE-4 beta-lactamase from crystallographic and kinetic studies.
Biochemistry, 40, 2001

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