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1ELV
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BU of 1elv by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COMPLEMENT C1S PROTEASE
分子名称: 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C1S COMPONENT, ...
著者Gaboriaud, C, Rossi, V, Bally, I, Arlaud, G, Fontecilla-Camps, J.-C.
登録日2000-03-14
公開日2001-03-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the catalytic domain of human complement c1s: a serine protease with a handle.
EMBO J., 19, 2000
8KB2
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BU of 8kb2 by Molmil
Crystal Structure of M- and C-Domains of the shaft pilin LrpA from Ligilactobacillus ruminis - iodide derivative
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Prajapati, A, Palva, A, von Ossowski, I, Krishnan, V.
登録日2023-08-03
公開日2024-07-10
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The crystal structure of the N-terminal domain of the backbone pilin LrpA reveals a new closure-and-twist motion for assembling dynamic pili in Ligilactobacillus ruminis.
Acta Crystallogr D Struct Biol, 80, 2024
9QUL
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BU of 9qul by Molmil
Zn(II)-bound de novo protein scaffold TFD-EH T87E
分子名称: 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ...
著者Wagner Egea, P, Delhommel, F, Mustafa, G, Leiss-Maier, F, Klimper, L, Badmann, T, Heider, A, Wille, I.C, Groll, M, Sattler, M, Zeymer, C.
登録日2025-04-10
公開日2025-11-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Modular protein scaffold architecture and AI-guided sequence optimization facilitate de novo metalloenzyme engineering.
Structure, 2025
7AE6
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BU of 7ae6 by Molmil
Crystal structure of di-AMPylated HEPN(R102A) toxin
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, HEPN toxin
著者Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V.
登録日2020-09-17
公開日2020-12-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
5W0T
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BU of 5w0t by Molmil
Crystal structure of monomeric Msp1 from S. cerevisiae
分子名称: 1,2-ETHANEDIOL, Protein MSP1
著者Keenan, R.J, Wohlever, M.L, Mateja, A.M.
登録日2017-05-31
公開日2017-08-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Msp1 Is a Membrane Protein Dislocase for Tail-Anchored Proteins.
Mol. Cell, 67, 2017
9QBA
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BU of 9qba by Molmil
Human TRIM21 PRYSPRY domain in complex with AL236
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, ~{N}-(cyclohexylmethyl)-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-2-methylsulfonyl-benzamide
著者Kim, Y, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
登録日2025-03-01
公開日2025-03-12
最終更新日2025-09-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallographic fragment screening reveals ligand hotspots in TRIM21 PRY-SPRY domain.
Commun Chem, 8, 2025
7SPA
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BU of 7spa by Molmil
Chlorella virus Hyaluronan Synthase in the GlcNAc-primed, channel-open state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Maloney, F.P, Kuklewicz, J, Zimmer, J.
登録日2021-11-02
公開日2022-04-06
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure, substrate recognition and initiation of hyaluronan synthase.
Nature, 604, 2022
7O0M
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 9 (ADO_AD_023)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 9 (ADO_AD_023)
To Be Published
7O1U
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BU of 7o1u by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 1 (BEV241)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
6V6U
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BU of 6v6u by Molmil
Crystal structure of RhoA-GDP with novel Switch I conformation
分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Lin, Y, Zheng, Y.
登録日2019-12-06
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
7SP6
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BU of 7sp6 by Molmil
Chlorella virus hyaluronan synthase
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL HEMISUCCINATE, Hyaluronan synthase, ...
著者Maloney, F.P, Kuklewicz, J, Zimmer, J.
登録日2021-11-02
公開日2022-04-06
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure, substrate recognition and initiation of hyaluronan synthase.
Nature, 604, 2022
8YSX
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BU of 8ysx by Molmil
canine immunoproteasome 20S subunit in complex with compound 2
分子名称: Proteasome subunit alpha type, Proteasome subunit beta, Proteasome subunit beta type-8, ...
著者Kashima, A, Arai, Y.
登録日2024-03-24
公開日2024-07-31
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor.
Bioorg.Med.Chem., 109, 2024
7SP8
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BU of 7sp8 by Molmil
Chlorella virus Hyaluronan Synthase bound to UDP-GlcNAc
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL HEMISUCCINATE, Hyaluronan synthase, ...
著者Maloney, F.P, Kuklewicz, J, Zimmer, J.
登録日2021-11-02
公開日2022-04-06
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure, substrate recognition and initiation of hyaluronan synthase.
Nature, 604, 2022
8V35
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BU of 8v35 by Molmil
Crystal structure of HpsN from Cupriavidus pinatubonensis
分子名称: 1,2-ETHANEDIOL, Sulfopropanediol 3-dehydrogenase, ZINC ION
著者Lee, M.
登録日2023-11-27
公開日2024-09-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Chem Sci, 15, 2024
7SP7
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BU of 7sp7 by Molmil
Chlorella virus hyaluronan synthase inhibited by UDP
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL HEMISUCCINATE, Hyaluronan synthase, ...
著者Maloney, F.P, Kuklewicz, J, Zimmer, J.
登録日2021-11-02
公開日2022-04-06
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure, substrate recognition and initiation of hyaluronan synthase.
Nature, 604, 2022
8KEP
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BU of 8kep by Molmil
The local refined map of SARS-CoV-2 Omicron BA.1 Spike complexed with antibody PW5-570
分子名称: PW5-570 heavy chain, PW5-570 light chain, Spike glycoprotein
著者Sun, L, Mao, Q, Wang, Y.
登録日2023-08-13
公開日2024-08-14
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
7O28
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BU of 7o28 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009)
分子名称: 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-30
公開日2021-09-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009)
To Be Published
7O0R
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BU of 7o0r by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026)
To Be Published
6UZS
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BU of 6uzs by Molmil
HLA-B*15:01 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2019-11-15
公開日2020-11-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
8V36
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BU of 8v36 by Molmil
Crystal structure of DHPS-3-dehydrogenase, HpsN from Cupriavidus pinatubonensis in complex with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Sulfopropanediol 3-dehydrogenase, ZINC ION
著者Lee, M.
登録日2023-11-27
公開日2024-09-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.235 Å)
主引用文献Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Chem Sci, 15, 2024
9XY2
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BU of 9xy2 by Molmil
One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Werther, R, Schwensen, J.S, Stoddard, B.L.
登録日2025-08-25
公開日2025-09-10
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Prediction, modeling and design of protein-DNA recognition via computational and machine learning approaches: accomplishments and remaining challenges
To Be Published
8EFN
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BU of 8efn by Molmil
Structure of Sp-STING3 from Stylophora pistillata coral in complex with 3',3'-cGAMP
分子名称: 1,2-ETHANEDIOL, 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein
著者Li, Y, Slavik, K.M, Morehouse, B.R, Mears, K, Kranzusch, P.J.
登録日2022-09-08
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
1EKI
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BU of 1eki by Molmil
AVERAGE SOLUTION STRUCTURE OF D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND COBALT
分子名称: (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-beta-D-Olivopyranose-(1-3)-beta-D-Olivopyranose, ...
著者Gochin, M.
登録日2000-03-08
公開日2000-03-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance.
Structure Fold.Des., 8, 2000
9NZ3
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BU of 9nz3 by Molmil
SARS-CoV M protein dimer in complex with JNJ-9676 and FAb B
分子名称: (6S,8R)-N-(3-cyanophenyl)-5-{4-[difluoro(phenyl)methyl]phenyl}-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide, FAb B heavy chain, FAb B light chain, ...
著者Mann, M.K, Abeywickrema, P.
登録日2025-03-31
公開日2025-10-29
最終更新日2025-12-03
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Structural insights into MERS and SARS coronavirus membrane proteins
Commun Biol, 8, 2025
7NW1
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Crystal structure of UFC1 in complex with UBA5
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R.
登録日2021-03-16
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for UFM1 transfer from UBA5 to UFC1.
Nat Commun, 12, 2021

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