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1DJ9
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CRYSTAL STRUCTURE OF 8-AMINO-7-OXONANOATE SYNTHASE (OR 7-KETO-8AMINIPELARGONATE OR KAPA SYNTHASE) COMPLEXED WITH PLP AND THE PRODUCT 8(S)-AMINO-7-OXONANONOATE (OR KAPA). THE ENZYME OF BIOTIN BIOSYNTHETIC PATHWAY.
分子名称: 8-AMINO-7-OXONONANOATE SYNTHASE, MAGNESIUM ION, N-[7-KETO-8-AMINOPELARGONIC ACID]-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Webster, S.P, Alexeev, D, Campopiano, D.J, Watt, R.M, Alexeeva, M, Sawyer, L, Baxter, R.L.
登録日1999-12-02
公開日2000-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of 8-amino-7-oxononanoate synthase: spectroscopic, kinetic, and crystallographic studies.
Biochemistry, 39, 2000
7A2B
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X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q207D
分子名称: MAGNESIUM ION, R-specific alcohol dehydrogenase
著者Bischoff, D, Hermann, J, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
登録日2020-08-17
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
6XI6
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BU of 6xi6 by Molmil
Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks
分子名称: helical fusion design
著者Bera, A.K, Hsia, Y, Kang, A.S, Shankaran, B, Baker, D.
登録日2020-06-19
公開日2021-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6XH5
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BU of 6xh5 by Molmil
Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks
分子名称: helical fusion design
著者Bera, A.K, Hsia, Y, Kang, A.S, Baker, D.
登録日2020-06-18
公開日2021-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
1DLA
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BU of 1dla by Molmil
NOVEL NADPH-BINDING DOMAIN REVEALED BY THE CRYSTAL STRUCTURE OF ALDOSE REDUCTASE
分子名称: ALDOSE REDUCTASE
著者Rondeau, J.-M, Tete-Favier, F, Podjarny, A, Reymann, J.-M, Barth, P, Biellmann, J.-F, Moras, D.
登録日1993-02-08
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Novel NADPH-binding domain revealed by the crystal structure of aldose reductase.
Nature, 355, 1992
1DOJ
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BU of 1doj by Molmil
Crystal structure of human alpha-thrombin*RWJ-51438 complex at 1.7 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUGEN, ...
著者Recacha, R, Costanzo, M.J, Maryanoff, B.E, Carson, M, DeLucas, L, Chattopadhyay, D.
登録日1999-12-21
公開日2000-11-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of human alpha-thrombin complexed with RWJ-51438 at 1.7 A: unusual perturbation of the 60A-60I insertion loop.
Acta Crystallogr.,Sect.D, 56, 2000
1DTH
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BU of 1dth by Molmil
METALLOPROTEASE
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ATROLYSIN C, CALCIUM ION, ...
著者Botos, I, Scapozza, L, Zhang, D, Liotta, L.A, Meyer, E.F.
登録日1996-02-12
公開日1997-02-12
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Batimastat, a potent matrix mealloproteinase inhibitor, exhibits an unexpected mode of binding.
Proc.Natl.Acad.Sci.USA, 93, 1996
1DV9
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STRUCTURAL CHANGES ACCOMPANYING PH-INDUCED DISSOCIATION OF THE B-LACTOGLOBULIN DIMER
分子名称: BETA-LACTOGLOBULIN
著者Uhrinova, S, Smith, M.H, Jameson, G.B, Uhrin, D, Sawyer, L, Barlow, P.N.
登録日2000-01-20
公開日2000-02-09
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Structural changes accompanying pH-induced dissociation of the beta-lactoglobulin dimer.
Biochemistry, 39, 2000
6X79
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BU of 6x79 by Molmil
Prefusion SARS-CoV-2 S ectodomain trimer covalently stabilized in the closed conformation
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McCallum, M, Walls, A.C, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-05-29
公開日2020-08-19
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure-guided covalent stabilization of coronavirus spike glycoprotein trimers in the closed conformation.
Nat.Struct.Mol.Biol., 27, 2020
6XT4
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C3_HD-1069 (1BH-69) - fusion protein of helical bundle and repeat protein
分子名称: 1BH_69
著者Bick, M.J, Hsia, Y, Sankaran, B, Baker, D.
登録日2020-07-17
公開日2020-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6WMW
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BU of 6wmw by Molmil
GFRAL receptor bound with two antibody Fabs (3P10, 25M22)
分子名称: FAB25M22 heavy chain fragment, FAB25M22 light chain, FAB3P10 heavy chain fragment, ...
著者White, A, Lakshminarasimhan, D, Olland, A, Suto, R.K.
登録日2020-04-21
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Antibody-mediated inhibition of GDF15-GFRAL activity reverses cancer cachexia in mice.
Nat Med, 26, 2020
6HKN
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BU of 6hkn by Molmil
Crystal structure of Compound 35 with ERK5
分子名称: Mitogen-activated protein kinase 7, [2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
著者Nguyen, D, Lemos, C, Wortmann, L, Eis, K, Holton, S.J, Boemer, U, Lechner, C, Prechtl, S, Suelze, D, Siegel, F, Prinz, F, Lesche, R, Nicke, B, Mumberg, D, Bauser, M, Haegebarth, A.
登録日2018-09-07
公開日2019-02-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5.
J. Med. Chem., 62, 2019
1E12
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BU of 1e12 by Molmil
Halorhodopsin, a light-driven chloride pump
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, HALORHODOPSIN, ...
著者Essen, L.-O, Kolbe, M, Oesterhelt, D.
登録日2000-04-14
公開日2000-06-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Light-Driven Chloride Pump Halorhodopsin at 1.8 A Resolution
Science, 288, 2000
1DPR
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BU of 1dpr by Molmil
STRUCTURES OF THE APO-AND METAL ION ACTIVATED FORMS OF THE DIPHTHERIA TOX REPRESSOR FROM CORYNEBACTERIUM DIPHTHERIAE
分子名称: DIPHTHERIA TOX REPRESSOR
著者Schiering, N, Tao, X, Murphy, J, Petsko, G.A, Ringe, D.
登録日1995-02-06
公開日1995-09-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of the apo- and the metal ion-activated forms of the diphtheria tox repressor from Corynebacterium diphtheriae.
Proc.Natl.Acad.Sci.USA, 92, 1995
6TK2
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BU of 6tk2 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ms structure of KR2 with extrapolated, light and dark datasets
分子名称: EICOSANE, RETINAL, SODIUM ION, ...
著者Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J.
登録日2019-11-28
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
6XNS
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BU of 6xns by Molmil
C3_crown-05
分子名称: C3_crown-05
著者Bick, M.J, Hsia, Y, Sankaran, B, Baker, D.
登録日2020-07-04
公開日2020-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6TK7
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BU of 6tk7 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in acidic conditions
分子名称: EICOSANE, RETINAL, Sodium pumping rhodopsin
著者Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J.
登録日2019-11-28
公開日2020-05-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
6TK1
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Femtosecond to millisecond structural changes in a light-driven sodium pump: 20ms structure of KR2 with extrapolated, light and dark datasets
分子名称: EICOSANE, RETINAL, SODIUM ION, ...
著者Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J.
登録日2019-11-28
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
8GEL
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BU of 8gel by Molmil
Cryo-EM structure of synthetic tetrameric building block sC4
分子名称: sC4
著者Redler, R.L, Huddy, T.F, Hsia, Y, Baker, D, Ekiert, D, Bhabha, G.
登録日2023-03-07
公開日2024-03-13
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
分子名称: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
著者Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2020-12-12
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AKW
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Crystal structure of the viral rhodopsins chimera O1O2
分子名称: EICOSANE, RETINAL, chimera of viral rhodopsins OLPVR1 and OLPVRII
著者Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V.
登録日2020-10-02
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
7AKY
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BU of 7aky by Molmil
Crystal structure of the viral rhodopsin OLPVR1 in P21212 space group
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, EICOSANE, viral rhodopsin OLPVR1
著者Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V.
登録日2020-10-02
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
7AKX
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Crystal structure of the viral rhodopsin OLPVR1 in P1 space group
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ...
著者Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V.
登録日2020-10-02
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
8VEI
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BU of 8vei by Molmil
De novo designed colic acid binder CHD_r1
分子名称: CHD_r1
著者Bera, A.K, An, L, Baker, D.
登録日2023-12-19
公開日2024-07-17
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Binding and sensing diverse small molecules using shape-complementary pseudocycles.
Science, 385, 2024
8VEJ
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De novo designed cholic acid binder: CHD_buttress
分子名称: CHD_buttress, CHOLIC ACID
著者Bera, A.K, Tran, L, Kang, A, Baker, D.
登録日2023-12-19
公開日2024-07-17
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Binding and sensing diverse small molecules using shape-complementary pseudocycles.
Science, 385, 2024

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