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6D45
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L89S Mutant of FeBMb Sperm Whale Myoglobin
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Bhagi-Damodaran, A, Mirts, E.N, Sandoval, B, Lu, Y.
登録日2018-04-17
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献Heme redox potentials hold the key to reactivity differences between nitric oxide reductase and heme-copper oxidase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6D46
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BU of 6d46 by Molmil
Crystal structure of a DNA polymerase III subunit beta DnaN sliding clamp from Rickettsia typhi str. Wilmington
分子名称: Beta sliding clamp, CHLORIDE ION, TETRAETHYLENE GLYCOL
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-04-17
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a DNA polymerase III subunit beta DnaN sliding clamp from Rickettsia typhi str. Wilmington
To Be Published
6D47
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Crystal structure of a DNA polymerase III subunit beta DnaN sliding clamp from Mycobacterium marinum
分子名称: Beta sliding clamp
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-04-17
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of a DNA polymerase III subunit beta DnaN sliding clamp from Mycobacterium marinum
To Be Published
6D48
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BU of 6d48 by Molmil
Cell Surface Receptor
分子名称: Myeloid cell surface antigen CD33
著者Hermans, S.J, Miles, L.A, Parker, M.W.
登録日2018-04-17
公開日2019-04-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
6D49
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Cell Surface Receptor in Complex with Ligand at 1.80-A Resolution
分子名称: 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33
著者Hermans, S.J, Miles, L.A, Parker, M.W.
登録日2018-04-17
公開日2019-04-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
6D4A
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BU of 6d4a by Molmil
Cell Surface Receptor with Bound Ligand at 1.75-A Resolution
分子名称: 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33
著者Hermans, S.J, Miles, L.A, Parker, M.W.
登録日2018-04-17
公開日2019-04-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
6D4B
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BU of 6d4b by Molmil
Crystal structure of Candida boidinii formate dehydrogenase V123A mutant complexed with NAD+ and azide
分子名称: AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ...
著者Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A.
登録日2018-04-17
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase
Acs Catalysis, 2019
6D4C
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BU of 6d4c by Molmil
Crystal structure of Candida boidinii formate dehydrogenase V123G mutant complexed with NAD+ and azide
分子名称: AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ...
著者Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A.
登録日2018-04-17
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase
Acs Catalysis, 2019
6D4D
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BU of 6d4d by Molmil
Crystal structure of the PTP epsilon D1 domain
分子名称: Receptor-type tyrosine-protein phosphatase epsilon
著者Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S.
登録日2018-04-18
公開日2018-10-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.765 Å)
主引用文献High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
6D4E
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BU of 6d4e by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG1.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Fc Fragment of IgG1
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2018-04-18
公開日2019-05-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
6D4F
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BU of 6d4f by Molmil
Crystal structure of PTP epsilon D2 domain (A455N/V457Y/E597D)
分子名称: PENTAETHYLENE GLYCOL, Receptor-type tyrosine-protein phosphatase epsilon
著者Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S.
登録日2018-04-18
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.909 Å)
主引用文献High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
6D4G
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BU of 6d4g by Molmil
N-GTPase domain of p190RhoGAP-A
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 35
著者Stiegler, A.L, Boggon, T.J.
登録日2018-04-18
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The N-Terminal GTPase Domain of p190RhoGAP Proteins Is a PseudoGTPase.
Structure, 26, 2018
6D4I
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BU of 6d4i by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG2
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2018-04-18
公開日2019-05-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
6D4K
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BU of 6d4k by Molmil
Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis at 1.32 A resolution
分子名称: CALCIUM ION, Probable L,D-transpeptidase 3
著者Libreros, G.A, Dias, M.V.B.
登録日2018-04-18
公開日2019-02-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis.
ACS Infect Dis, 5, 2019
6D4L
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BU of 6d4l by Molmil
Joint X-ray/neutron structure of DNA oligonucleotide d(GTGGCCAC)2 with 2'-SeCH3 modification on Cyt5
分子名称: DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION
著者Kovalevsky, A, Huang, Z, Vandavasi, V.G.
登録日2018-04-18
公開日2018-10-17
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION
主引用文献Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA.
Structure, 26, 2018
6D4M
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BU of 6d4m by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG3
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2018-04-18
公開日2019-05-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
6D4N
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BU of 6d4n by Molmil
Crystal structure of a Fc fragment of Rhesus macaque (Macaca mulatta) IgG4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG4
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2018-04-18
公開日2019-05-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
6D4O
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Eubacterium eligens beta-glucuronidase bound to an amoxapine-glucuronide conjugate
分子名称: (5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine, Beta-glucuronidase, CHLORIDE ION, ...
著者Pellock, S.J, Walton, W.G, Redinbo, M.R.
登録日2018-04-18
公開日2018-07-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Gut Microbial beta-Glucuronidase Inhibition via Catalytic Cycle Interception.
ACS Cent Sci, 4, 2018
6D4P
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Ube2D1 in complex with ubiquitin variant Ubv.D1.1
分子名称: Ubiquitin Variant Ubv.D1.1, Ubiquitin-conjugating enzyme E2 D1
著者Ceccarelli, D.F, Garg, P, Sidhu, S, Sicheri, F.
登録日2018-04-18
公開日2019-07-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural and Functional Analysis of Ubiquitin-based Inhibitors That Target the Backsides of E2 Enzymes.
J.Mol.Biol., 432, 2020
6D4Q
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M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455)
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4R
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M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 18 (VCC399134)
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4S
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BU of 6d4s by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 37 (VCC670597)
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4T
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BU of 6d4t by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054)
分子名称: (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4U
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M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664)
分子名称: 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4V
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M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 22 (VCC061422)
分子名称: 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019

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