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7XIZ
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BU of 7xiz by Molmil
SARS-CoV-2 Omicron BA.3 variant spike (local)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
著者Wang, X, Wang, L.
登録日2022-04-14
公開日2022-07-13
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XNR
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BU of 7xnr by Molmil
SARS-CoV-2 Omicron BA.2.13 variant spike
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, Spike glycoprotein
著者Wang, X, Wang, L.
登録日2022-04-29
公開日2022-07-13
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7X6A
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BU of 7x6a by Molmil
SARS-CoV-2 BA.2 variant spike protein in complex with Fab BD55-5840
分子名称: Heavy chain of Fab BD55-5840, Light chain of Fab BD55-5840, Spike glycoprotein
著者Wang, X, Wang, L.
登録日2022-03-07
公開日2022-07-13
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7T62
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BU of 7t62 by Molmil
GPC2 HEP CT3 complex
分子名称: CT3, Glypican-2
著者Zhu, J, Cachau, R, De Val Alda, N, Li, N, Ho, M.
登録日2021-12-13
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (21 Å)
主引用文献CAR T cells targeting tumor-associated exons of glypican 2 regress neuroblastoma in mice.
Cell Rep Med, 2, 2021
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
分子名称: 3372H, 3372L, Spike protein S1
著者Liu, P.L.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WR8
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BU of 7wr8 by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.1.529) in complex with BD55-3152 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-3152H, BD55-3152L, ...
著者Du, S, Xiao, J.Y.
登録日2022-01-26
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRL
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BU of 7wrl by Molmil
Local structure of BD55-1239 Fab and SARS-COV2 Omicron RBD complex
分子名称: BD55-1239H, BD55-1239L, Spike protein S1
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRZ
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Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ...
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-28
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
6C6R
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BU of 6c6r by Molmil
Human Squalene Epoxidase (SQLE, Squalene Monooxygenase) structure with FAD
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6P
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BU of 6c6p by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598
分子名称: (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6N
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BU of 6c6n by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
4D90
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BU of 4d90 by Molmil
Crystal Structure of Del-1 EGF domains
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Chen, Q, Schurpf, T, Springer, T, Wang, J.
登録日2012-01-11
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献The RGD finger of Del-1 is a unique structural feature critical for integrin binding.
Faseb J., 26, 2012
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
著者White, S.W, Yun, M.
登録日2020-07-31
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
6M2B
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BU of 6m2b by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
分子名称: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Li, H.
登録日2020-02-27
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
6LHE
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BU of 6lhe by Molmil
Crystal Structure of Gold-bound NDM-1
分子名称: GOLD ION, Metallo-beta-lactamase type 2, SULFATE ION
著者Wang, H, Sun, H, Wang, M.
登録日2019-12-07
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.206 Å)
主引用文献Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
5XVA
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BU of 5xva by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH216
分子名称: ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
著者Zhao, F, Li, H.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVG
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BU of 5xvg by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH226
分子名称: 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ...
著者Zhao, F, Li, H.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
7CDA
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BU of 7cda by Molmil
Crystal structure of T2R-TTL-PAC complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.659 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CE8
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BU of 7ce8 by Molmil
Crystal structure of T2R-TTL-Compound11 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-22
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.725 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CEK
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BU of 7cek by Molmil
Crystal structure of T2R-TTL-BML-284 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-23
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CE6
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BU of 7ce6 by Molmil
Crystal structure of T2R-TTL-Compound9 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-22
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
6PE7
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BU of 6pe7 by Molmil
Crystal Structure of ABBV-323 FAB
分子名称: FAB Heavy Chain, FAB Light chain, SULFATE ION
著者Argiriadi, M.A.
登録日2019-06-20
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
6PE9
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Crystal Structure of CD40 complexed to FAB516
分子名称: FAB Heavy chain, FAB Light chain, SULFATE ION, ...
著者Argiriadi, M.A.
登録日2019-06-20
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
6PE8
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Crystal structure of CD40/ABBV-323 FAB complex
分子名称: FAB Heavy chain, FAB Light chain, SULFATE ION, ...
著者Argiriadi, M.A.
登録日2019-06-20
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
5XVF
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BU of 5xvf by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH062
分子名称: 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4
著者Zhao, F, Li, H.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018

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