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4EGI
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BU of 4egi by Molmil
Hsp90-alpha ATPase domain in complex with 2-Amino-4-ethylthio-6-methyl-1,3,5-triazine
分子名称: 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha
著者Chen, W.J, Wood, S.P.
登録日2012-03-31
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment screening using capillary electrophoresis (CEfrag) for hit identification of heat shock protein 90 ATPase inhibitors.
J Biomol Screen, 17, 2012
8QO9
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BU of 8qo9 by Molmil
Cryo-EM structure of a human spliceosomal B complex protomer
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, MINX pre-mRNA, Microfibrillar-associated protein 1, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Urlaub, H, Stark, H, Luehrmann, R.
登録日2023-09-28
公開日2024-01-24
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (5.29 Å)
主引用文献Cryo-EM analyses of dimerized spliceosomes provide new insights into the functions of B complex proteins.
Embo J., 43, 2024
8Q7N
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BU of 8q7n by Molmil
cryo-EM structure of the human spliceosomal B complex protomer (tri-snRNP core region)
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, MINX pre-mRNA, Microfibrillar-associated protein 1, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Urlaub, H, Stark, H, Luehrmann, R.
登録日2023-08-16
公開日2024-01-24
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM analyses of dimerized spliceosomes provide new insights into the functions of B complex proteins.
Embo J., 43, 2024
8S9B
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BU of 8s9b by Molmil
Cryo-EM structure of Nav1.7 with LCM
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fan, X, Huang, J, Yan, N.
登録日2023-03-27
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
8S9C
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BU of 8s9c by Molmil
Cryo-EM structure of Nav1.7 with CBZ
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fan, X, Huang, J, Yan, N.
登録日2023-03-27
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
4EHK
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BU of 4ehk by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.668 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EHF
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BU of 4ehf by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4DCI
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BU of 4dci by Molmil
Crystal structure of unknown funciton protein from Synechococcus sp. WH 8102
分子名称: SULFATE ION, uncharacterized protein
著者Chang, C, Marshall, N, Bearden, J, Palenik, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-01-17
公開日2012-02-01
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal structure of unknown function protein from Synechococcus sp. WH 8102
To be Published
4PS0
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BU of 4ps0 by Molmil
Caspase-8 specific unnatural amino acid peptides
分子名称: (BAL)LQ(HYP)(1U8) PEPTIDE, Caspase-3
著者Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E.
登録日2014-03-06
公開日2015-01-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
3WCI
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BU of 3wci by Molmil
The complex structure of HsSQS wtih ligand,BPH1325
分子名称: Squalene synthase, hydrogen [(1R)-1-hydroxy-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
4QTY
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BU of 4qty by Molmil
Caspase-3 E190A
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3, ...
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-09
公開日2014-11-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QU5
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BU of 4qu5 by Molmil
Caspase-3 T140V
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.908 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUI
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BU of 4qui by Molmil
Caspase-3 F128AV266H
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ...
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.758 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUA
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BU of 4qua by Molmil
Caspase-3 Y195F
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4APC
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BU of 4apc by Molmil
Crystal Structure of Human NIMA-related Kinase 1 (NEK1)
分子名称: CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1
著者Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S.
登録日2012-04-02
公開日2012-04-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
4RCI
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BU of 4rci by Molmil
Crystal structure of YTHDF1 YTH domain
分子名称: UNKNOWN ATOM OR ION, YTH domain-containing family protein 1
著者Xu, C, Tempel, W, Liu, K, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-09-16
公開日2014-10-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Basis for the Discriminative Recognition of N6-Methyladenosine RNA by the Human YT521-B Homology Domain Family of Proteins.
J.Biol.Chem., 290, 2015
4QUB
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BU of 4qub by Molmil
Caspase-3 K137A
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4EHL
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BU of 4ehl by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4PRY
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BU of 4pry by Molmil
Caspase-8 specific unnatural amino acid peptides
分子名称: Ac-LETD-CHO, Caspase-3
著者Wolan, D.W, Gonzalez-Paez, G.E, Vickers, C.J.
登録日2014-03-06
公開日2015-01-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
4EHD
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BU of 4ehd by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
3WQO
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BU of 3wqo by Molmil
Crystal structure of D-tagatose 3-epimerase-like protein
分子名称: MANGANESE (II) ION, Uncharacterized protein MJ1311
著者Uechi, K, Takata, G, Yoneda, K, Ohshima, T, Sakuraba, H.
登録日2014-01-28
公開日2014-07-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure of D-tagatose 3-epimerase-like protein from Methanocaldococcus jannaschii
Acta Crystallogr.,Sect.F, 70, 2014
4QCI
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BU of 4qci by Molmil
PDGF-B blocking antibody bound to PDGF-BB
分子名称: Platelet-derived growth factor subunit B, anti-PDGF-BB antibody - Light Chain, anti-PDGF-BB antibody - Heavy chain
著者Kuai, J, Mosyak, L, Tam, M, LaVallie, E, Pullen, N, Carven, G.
登録日2014-05-12
公開日2015-03-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Binding Mode of Action of a Blocking Anti-Platelet-Derived Growth Factor (PDGF)-B Monoclonal Antibody, MOR8457, Reveals Conformational Flexibility and Avidity Needed for PDGF-BB To Bind PDGF Receptor-beta.
Biochemistry, 54, 2015
4CE7
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BU of 4ce7 by Molmil
Crystal structure of a novel unsaturated beta-glucuronyl hydrolase enzyme, belonging to family GH105, involved in ulvan degradation
分子名称: NITRATE ION, UNSATURATED 3S-RHAMNOGLYCURONYL HYDROLASE
著者Nyvall Collen, P, Jeudy, A, Groisillier, A, Coutinho, P.M, Helbert, W, Czjzek, M.
登録日2013-11-09
公開日2014-01-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Novel Unsaturated Beta-Glucuronyl Hydrolase Involved in Ulvan Degradation Unveils the Versatility of Stereochemistry Requirements in Family Gh105.
J.Biol.Chem., 289, 2014
3PCI
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BU of 3pci by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-IODO-4-HYDROXYBENZOATE
分子名称: 3-IODO-4-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ...
著者Orville, A.M, Elango, N, Lipscomb, J.D, Ohlendorf, D.H.
登録日1997-07-02
公開日1998-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
4BDS
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BU of 4bds by Molmil
Human butyrylcholinesterase in complex with tacrine
分子名称: 1-formyl-L-proline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y.
登録日2012-10-06
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Human Cholinesterases in Complex with Huprine W and Tacrine: Elements of Specificity for Anti-Alzheimer'S Drugs Targeting Acetyl- and Butyrylcholinesterase.
Biochem.J., 453, 2013

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