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8ZBZ
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BU of 8zbz by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up)
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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.71 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZBY
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BU of 8zby by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (x2-4P) in complex with 3 D1F6 Fabs (0 RBD up)
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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC1
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BU of 8zc1 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region
分子名称: Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC4
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BU of 8zc4 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up)
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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC0
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BU of 8zc0 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up)
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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
4WAF
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BU of 4waf by Molmil
Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha
分子名称: N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Elling, R.A.
登録日2014-08-29
公開日2014-12-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6BOI
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BU of 6boi by Molmil
Crystal Structure of LdtMt2 (56-408) with a panipenem adduct at the active site cysteine-354
分子名称: (3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Saavedra, H, Bianchet, M.A.
登録日2017-11-20
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Structures and Mechanism of Inhibition of Mycobacterium tuberculosis L,D-transpeptidase 2 by Panipenem
To Be Published
3PJZ
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BU of 3pjz by Molmil
Crystal Structure of the Potassium Transporter TrkH from Vibrio parahaemolyticus
分子名称: POTASSIUM ION, Potassium uptake protein TrkH
著者Cao, Y, Jin, X, Huang, H, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2010-11-10
公開日2011-01-19
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3.506 Å)
主引用文献Crystal structure of a potassium ion transporter, TrkH.
Nature, 471, 2011
3QNQ
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BU of 3qnq by Molmil
Crystal structure of the transporter ChbC, the IIC component from the N,N'-diacetylchitobiose-specific phosphotransferase system
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, PTS system, ...
著者Cao, Y, Jin, X, Huang, H, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2011-02-08
公開日2011-04-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.295 Å)
主引用文献Crystal structure of a phosphorylation-coupled saccharide transporter.
Nature, 473, 2011
8BJ7
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BU of 8bj7 by Molmil
Desulfovibrio desulfuricans FeFe Hydrogenase C178A mutant in Hinact-like state
分子名称: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ...
著者Bikbaev, K, Span, I.
登録日2022-11-03
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases.
Chem Sci, 14, 2023
4ZFQ
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BU of 4zfq by Molmil
Structure of M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. (Meropenen-adduct form)
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, L,D-transpeptidase 5
著者Basta, L, Ghosh, A, Lamichhane, G, Bianchet, M.A.
登録日2015-04-21
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
6V4L
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BU of 6v4l by Molmil
Structure of TrkH-TrkA in complex with ATPgammaS
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Potassium uptake protein TrkA, Trk system potassium uptake protein TrkH
著者Zhou, M, Zhang, H.
登録日2019-11-27
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
6V4J
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BU of 6v4j by Molmil
Structure of TrkH-TrkA in complex with ATP
分子名称: Potassium uptake protein TrkA, Trk system potassium uptake protein TrkH
著者Zhou, M, Zhang, H.
登録日2019-11-27
公開日2020-02-12
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
6V4K
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BU of 6v4k by Molmil
Structure of TrkH-TrkA in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Potassium transporter peripheral membrane component, Trk system potassium uptake protein
著者Zhou, M, Zhang, H.
登録日2019-11-27
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.53004146 Å)
主引用文献TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
3HFJ
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BU of 3hfj by Molmil
Bacillus anthracis nicotinate mononucleotide adenylytransferase (nadD) in complex with inhibitor CID 3289443
分子名称: 3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide, CALCIUM ION, Nicotinate (Nicotinamide) nucleotide adenylyltransferase
著者Zhang, H, Huang, N, Eyobo, Y.
登録日2009-05-11
公開日2009-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Targeting NAD biosynthesis in bacterial pathogens: Structure-based development of inhibitors of nicotinate mononucleotide adenylyltransferase NadD.
Chem.Biol., 16, 2009
4J9V
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BU of 4j9v by Molmil
Crystal Structure of the TrkA Gating ring bound to ATP-gamma-S
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Potassium uptake protein TrkA, ...
著者Huang, H, Levin, E.J, Jin, X, Cao, Y, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2013-02-17
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.051 Å)
主引用文献Gating of the TrkH ion channel by its associated RCK protein TrkA.
Nature, 496, 2013
4J9U
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BU of 4j9u by Molmil
Crystal Structure of the TrkH/TrkA potassium transport complex
分子名称: HEXATANTALUM DODECABROMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, POTASSIUM ION, ...
著者Cao, Y, Jin, X, Huang, H, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2013-02-17
公開日2013-04-03
最終更新日2013-05-01
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Gating of the TrkH ion channel by its associated RCK protein TrkA.
Nature, 496, 2013
7XST
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BU of 7xst by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike glycoprotein in complex with three F61 Fab and three D2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
著者Wang, X, Li, X.
登録日2022-05-15
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
6L0X
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BU of 6l0x by Molmil
The First Tudor Domain of PHF20L1
分子名称: CITRIC ACID, GLYCEROL, PHD finger protein 20-like protein 1
著者Lv, M.Q, Gao, J.
登録日2019-09-27
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6L1P
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BU of 6l1p by Molmil
Crystal structure of PHF20L1 in complex with Hit 1
分子名称: 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol, GLYCEROL, PHD finger protein 20-like protein 1, ...
著者Lv, M.Q, Gao, J.
登録日2019-09-29
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.231 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6L1C
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BU of 6l1c by Molmil
Crystal Structure Of of PHF20L1 Tudor1 Y24L mutant
分子名称: GLYCEROL, PHD finger protein 20-like protein 1, SULFATE ION
著者Lv, M.Q, Gao, J.
登録日2019-09-28
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6L1I
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Crystal Structure Of of PHF20L1 Tudor1 Y24W/Y29W mutant
分子名称: PHD finger protein 20-like protein 1, SULFATE ION
著者Lv, M.Q, Gao, J.
登録日2019-09-29
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
3NTC
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BU of 3ntc by Molmil
Crystal structure of KD-247 Fab, an anti-V3 antibody that inhibits HIV-1 Entry
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Fab heavy chain, ...
著者Sarafianos, S.G, Kirby, K.A.
登録日2010-07-03
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis of clade-specific HIV-1 neutralization by humanized anti-V3 monoclonal antibody KD-247.
Faseb J., 29, 2015
5Y5W
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BU of 5y5w by Molmil
Crystal structure of human Spindlin1 in complex with a histone H4K20(me3) peptide
分子名称: Histone peptide H4K20(me3), Spindlin-1
著者Wang, C, Zang, J.
登録日2017-08-10
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Spindlin-1 recognizes methylations of K20 and R23 of histone H4 tail
FEBS Lett., 592, 2018
7RX2
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BU of 7rx2 by Molmil
afTMEM16 in C22 lipid nanodiscs with MSP1E3 scaffold protein in the presnece of Ca2+
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, afTMEM16 lipid scramblase
著者Falzone, M.E, Accardi, A.
登録日2021-08-21
公開日2022-05-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022

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