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5WRC
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BU of 5wrc by Molmil
Crystal structure of proteinase K from Engyodontium album
分子名称: NITRATE ION, PRASEODYMIUM ION, Proteinase K
著者Sugahara, M, Nakane, T, Suzuki, M, Masuda, T, Inoue, S, Numata, K.
登録日2016-12-01
公開日2017-11-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydroxyethyl cellulose matrix applied to serial crystallography
Sci Rep, 7, 2017
6LTQ
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BU of 6ltq by Molmil
Crystal structure of pyrrolidone carboxyl peptidase from thermophilic keratin degrading bacterium Fervidobacterium islandicum AW-1 (FiPcp)
分子名称: GLYCEROL, PENTAETHYLENE GLYCOL, Pyroglutamyl-peptidase I
著者Dhanasingh, I, Jin, H.S, Lee, D.W, Lee, S.H.
登録日2020-01-23
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of oxidized pyrrolidone carboxypeptidase from Fervidobacterium islandicum AW-1 reveals unique structural features for thermostability and keratinolysis.
Biochem.Biophys.Res.Commun., 540, 2021
5FON
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BU of 5fon by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain (apo structure)
分子名称: LEUCYL-TRNA SYNTHETASE
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-24
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5N21
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BU of 5n21 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5Y5F
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BU of 5y5f by Molmil
Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 MGy) X-ray
分子名称: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
著者Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M.
登録日2017-08-09
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
5Y5H
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BU of 5y5h by Molmil
SF-ROX structure of cytochrome P450nor (NO-bound state) determined at SACLA
分子名称: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
著者Tosha, T, Nomura, T, Nishida, T, Yamagiwa, R, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Yamashita, A, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M.
登録日2017-08-09
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
3HQU
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BU of 3hqu by Molmil
PHD2:Fe:UN9:partial HIF1-alpha substrate complex
分子名称: Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2009-06-08
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
5Y6D
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BU of 5y6d by Molmil
VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 11)
分子名称: (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B.
登録日2017-08-11
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
5Y6E
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BU of 5y6e by Molmil
VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 12)
分子名称: (2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B.
登録日2017-08-11
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
7C10
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BU of 7c10 by Molmil
Dithiol cGrx1
分子名称: Glutaredoxin
著者Lee, K, Hwang, K.Y.
登録日2020-05-02
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Monothiol and dithiol glutaredoxin-1 from clostridium oremlandii: identification of domain-swapped structures by NMR, X-ray crystallography and HDX mass spectrometry.
Iucrj, 7, 2020
6FS2
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BU of 6fs2 by Molmil
MCL1 in complex with indole acid ligand
分子名称: 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Hargreaves, D.
登録日2018-02-18
公開日2018-12-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6FS0
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BU of 6fs0 by Molmil
INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH AZD5991
分子名称: AZD5991, Fab Heavy Chain, Fab Light Chain, ...
著者Hargreaves, D.
登録日2018-02-18
公開日2018-12-26
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6NMV
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BU of 6nmv by Molmil
Non-Blocking Fab 218 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 218 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 218 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMR
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BU of 6nmr by Molmil
Blocking Fab 119 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 119 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 119 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMT
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BU of 6nmt by Molmil
Non-Blocking Fab 3 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 3 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 3 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NF0
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BU of 6nf0 by Molmil
Nocturnin with bound NADPH substrate
分子名称: CALCIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Nocturnin
著者Estrella, M.A, Du, J, Korennykh, A.
登録日2018-12-18
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The metabolites NADP+and NADPH are the targets of the circadian protein Nocturnin (Curled).
Nat Commun, 10, 2019
5WIN
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BU of 5win by Molmil
JAK2 Pseudokinase in complex with JNJ7706621
分子名称: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Tyrosine-protein kinase JAK2
著者Li, Q, Eck, M.J, Li, K, Park, E.
登録日2017-07-19
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
6NMS
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BU of 6nms by Molmil
Blocking Fab 136 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 136 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 136 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
5EK0
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BU of 5ek0 by Molmil
Human Nav1.7-VSD4-NavAb in complex with GX-936.
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide, Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha
著者Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J.
登録日2015-11-03
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist.
Science, 350, 2015
8OET
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BU of 8oet by Molmil
SFX structure of the class II photolyase complexed with a thymine dimer
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, DNA (14-mer), Deoxyribodipyrimidine photo-lyase, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-03-12
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8R02
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BU of 8r02 by Molmil
Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a
分子名称: Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35
著者Milani, M, Fagnani, E.
登録日2023-10-30
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface.
Comput Struct Biotechnol J, 23, 2024
8R0J
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BU of 8r0j by Molmil
Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, ...
著者Milani, M, Fagnani, E.
登録日2023-10-31
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface.
Comput Struct Biotechnol J, 23, 2024
5FVI
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BU of 5fvi by Molmil
Structure of IrisFP in mineral grease at 100 K.
分子名称: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION
著者Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M.
登録日2016-02-07
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett., 7, 2016
6NMU
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BU of 6nmu by Molmil
Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
4LL4
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BU of 4ll4 by Molmil
The structure of the TRX and TXNIP complex
分子名称: Thioredoxin, Thioredoxin-interacting protein
著者Hwang, J, Kim, M.H.
登録日2013-07-09
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structural basis for the negative regulation of thioredoxin by thioredoxin-interacting protein
Nat Commun, 5, 2014

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