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7LVI
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BU of 7lvi by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
分子名称: (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ...
著者Muckelbauer, J.K.
登録日2021-02-25
公開日2021-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
7LVH
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BU of 7lvh by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE
分子名称: 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ...
著者Muckelbauer, J.K.
登録日2021-02-25
公開日2021-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
7LMD
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BU of 7lmd by Molmil
SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide
分子名称: 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase
著者Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R.
登録日2021-02-05
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
1QZN
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BU of 1qzn by Molmil
Crystal Structure Analysis of a type II cohesin domain from the cellulosome of Acetivibrio cellulolyticus
分子名称: cellulosomal scaffoldin adaptor protein B
著者Frolow, F, Noach, I, Rosenheck, S, Lamed, R, Qi, X, Shimon, L.J.W, Bayer, E.A.
登録日2003-09-17
公開日2004-09-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a type-II cohesin module from the Bacteroides cellulosolvens cellulosome reveals novel and distinctive secondary structural elements.
J.Mol.Biol., 348, 2005
7LME
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BU of 7lme by Molmil
SARS-CoV-2 3CLPro in complex with N-[4-[[2-(benzotriazol-1-yl)acetyl]-(3-thienylmethyl)amino]phenyl]cyclopropanecarboxamide
分子名称: 3C-like proteinase, ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide
著者Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R.
登録日2021-02-05
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
5NWY
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BU of 5nwy by Molmil
2.9 A cryo-EM structure of VemP-stalled ribosome-nascent chain complex
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Su, T, Cheng, J, Sohmen, D, Hedman, R, Berninghausen, O, von Heijne, G, Wilson, D.N, Beckmann, R.
登録日2017-05-08
公開日2017-07-19
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献The force-sensing peptide VemP employs extreme compaction and secondary structure formation to induce ribosomal stalling.
Elife, 6, 2017
7LMF
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BU of 7lmf by Molmil
SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide
分子名称: 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase
著者Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R.
登録日2021-02-05
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
8ADE
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BU of 8ade by Molmil
Wild type ATTR amyloid fibril from senile systemic amyloidosis
分子名称: Transthyretin
著者Schmidt, M, Steinebrei, M.
登録日2022-07-08
公開日2022-11-23
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Cryo-EM structure of an ATTRwt amyloid fibril from systemic non-hereditary transthyretin amyloidosis.
Nat Commun, 13, 2022
5M9M
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BU of 5m9m by Molmil
Human angiogenin PD variant Q77P
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiogenin, ...
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-01
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5M9R
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BU of 5m9r by Molmil
Human angiogenin ALS variant F100I
分子名称: Angiogenin, D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-02
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
8FDJ
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BU of 8fdj by Molmil
Wild-Type Sperm Whale Myoglobin in Complex with Nitrosobenzene
分子名称: Myoglobin, NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Powell, S.M, Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2022-12-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
7MT0
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BU of 7mt0 by Molmil
Structure of the adeno-associated virus 9 capsid at pH 7.4
分子名称: Capsid protein VP1
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-12
公開日2021-06-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
7MTZ
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BU of 7mtz by Molmil
Structure of the adeno-associated virus 9 capsid at pH pH 7.4 in complex with terminal galactose
分子名称: Capsid protein VP1, beta-D-galactopyranose
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-14
公開日2021-06-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
5M9V
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BU of 5m9v by Molmil
Human angiogenin PD/ALS variant R121C
分子名称: Angiogenin, GLUTATHIONE, L(+)-TARTARIC ACID
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-02
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
7MUA
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BU of 7mua by Molmil
Structure of the adeno-associated virus 9 capsid at pH pH 5.5 in complex with terminal galactose
分子名称: Capsid protein VP1, beta-D-galactopyranose
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-14
公開日2021-06-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
5M9G
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BU of 5m9g by Molmil
Human angiogenin PD variant K54R
分子名称: Angiogenin, D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-01
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5MK6
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BU of 5mk6 by Molmil
Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal form 1)
分子名称: Botulinum neurotoxin type A, SODIUM ION
著者Davies, J.R, Acharya, K.R.
登録日2016-12-02
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High resolution crystal structures of the receptor-binding domain ofClostridium botulinumneurotoxin serotypes A and FA.
PeerJ, 6, 2018
5OLP
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BU of 5olp by Molmil
Galacturonidase
分子名称: CALCIUM ION, Pectate lyase
著者Basle, A, Luis, A.S, Gilbert, H.J.
登録日2017-07-28
公開日2017-11-29
最終更新日2018-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
4O60
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BU of 4o60 by Molmil
Structure of ankyrin repeat protein
分子名称: ANK-N5C-317
著者Ethayathulla, A.S, Guan, L.
登録日2013-12-20
公開日2015-03-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献A transcription blocker isolated from a designed repeat protein combinatorial library by in vivo functional screen.
Sci Rep, 5, 2015
7MTG
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BU of 7mtg by Molmil
Structure of the adeno-associated virus 9 capsid at pH 6.0
分子名称: Capsid protein VP1
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-13
公開日2021-07-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
7MTP
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BU of 7mtp by Molmil
Structure of the adeno-associated virus 9 capsid at pH 5.5
分子名称: Capsid protein VP1
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-13
公開日2021-07-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
7MTW
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BU of 7mtw by Molmil
Structure of the adeno-associated virus 9 capsid at pH 4.0
分子名称: Capsid protein VP1
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-13
公開日2021-07-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
5M9P
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BU of 5m9p by Molmil
Human angiogenin ALS variant T80S
分子名称: Angiogenin, SULFATE ION
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-02
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5M9A
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BU of 5m9a by Molmil
Human angiogenin PD variant H13R
分子名称: Angiogenin, D(-)-TARTARIC ACID
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-01
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5M9C
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BU of 5m9c by Molmil
Human angiogenin ALS variant K40R
分子名称: Angiogenin, D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-01
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017

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