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8JL8
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Crystal structure of the collagen binding domain of Cnm from Streptococcus mutans
分子名称: Collagen-binding adhesin, GLYCEROL, SULFATE ION
著者Tanaka, S.-i, Hirata, A, Takano, K.
登録日2023-06-02
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure, Stability and Binding Properties of Collagen-Binding Domains from Streptococcus mutans.
Chemistry, 5, 2023
4WR2
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Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
分子名称: CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA
著者Himmel, D.M, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-10-22
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
To be published
4YNE
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BU of 4yne by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-09
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.0229 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YMJ
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(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-06
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YPS
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(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-13
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1012 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4V82
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Crystal structure of cyanobacterial Photosystem II in complex with terbutryn
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Gabdulkhakov, A, Broser, M, Guskov, A, Kern, J, Glockner, C, Muh, F, Saenger, W, Zouni, A.
登録日2010-11-30
公開日2014-07-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of cyanobacterial photosystem II Inhibition by the herbicide terbutryn
J.Biol.Chem., 286, 2011
4WU7
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HLA-A24 in complex with HIV-1 Nef134-8(2F)
分子名称: 8-Mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Shimizu, A, Yamagata, A, Fukai, S, Iwamoto, A.
登録日2014-10-31
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Crystal structure of Nef134-8 epitope presented by HLA-A24
To Be Published
4XA7
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BU of 4xa7 by Molmil
Soluble part of holo NqrC from V. harveyi
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit C
著者Borshchevskiy, V, Round, E, Bertsova, Y, Polovinkin, V, Gushchin, I, Mishin, A, Kovalev, K, Kachalova, G, Popov, A, Bogachev, A, Gordeliy, V.
登録日2014-12-12
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural and Functional Investigation of Flavin Binding Center of the NqrC Subunit of Sodium-Translocating NADH:Quinone Oxidoreductase from Vibrio harveyi.
Plos One, 10, 2015
8GHX
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BU of 8ghx by Molmil
Crystal Structure of CelD Cellulase from the Anaerobic Fungus Piromyces finnis
分子名称: 1,2-ETHANEDIOL, Cellulase CelD
著者Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A.
登録日2023-03-13
公開日2023-05-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
8GHY
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BU of 8ghy by Molmil
Crystal Structure of the E154D mutant CelD Cellulase from the Anaerobic Fungus Piromyces finnis in the complex with cellotriose.
分子名称: Cellulase CelD, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A.
登録日2023-03-13
公開日2023-05-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
4XR8
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BU of 4xr8 by Molmil
Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ...
著者Martinez-Zapien, D, Ruiz, F.X, Mitschler, A, Podjarny, A, Trave, G, Zanier, K.
登録日2015-01-20
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of the E6/E6AP/p53 complex required for HPV-mediated degradation of p53.
Nature, 529, 2016
8IYT
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BU of 8iyt by Molmil
Crystal Structure of Serine Palmitoyltransferase complexed with D-methylserine
分子名称: (2~{R})-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Serine palmitoyltransferase
著者Takahashi, A, Murakami, T, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
登録日2023-04-06
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Serine Palmitoyltransferase from Sphingobacterium multivorum
To Be Published
8IYP
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BU of 8iyp by Molmil
Crystal structure of serine palmitoyltransferase soaked in 190 mM D-serine solution
分子名称: 1,2-ETHANEDIOL, Serine palmitoyltransferase, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Takahashi, A, Murakami, T, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
登録日2023-04-05
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Crystal structure of Serine Palmitoyltransferase from Sphingobacterium multivorum
To Be Published
4YIP
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BU of 4yip by Molmil
X-ray structure of the iron/manganese cambialistic superoxide dismutase from Streptococcus mutans
分子名称: FE (III) ION, Superoxide dismutase [Mn/Fe]
著者Russo Krauss, I, Merlino, A, Pica, A, Sica, F.
登録日2015-03-02
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Fine tuning of metal-specific activity in the Mn-like group of cambialistic superoxide dismutases
Rsc Adv, 5, 2015
4WZV
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BU of 4wzv by Molmil
Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain
分子名称: (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A.
登録日2014-11-20
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
4XCT
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Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain.
分子名称: (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ...
著者Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A.
登録日2014-12-18
公開日2015-04-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
6YNQ
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BU of 6ynq by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone.
分子名称: (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, 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2020-04-14
公開日2020-04-29
最終更新日2024-01-24
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
4Y7M
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T6SS protein TssM C-terminal domain (835-1129) from EAEC
分子名称: Hi113 protein, SULFATE ION, Type VI secretion protein IcmF
著者Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
登録日2015-02-15
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
4Y7L
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T6SS protein TssM C-terminal domain (869-1107) from EAEC
分子名称: GLYCEROL, Type VI secretion protein IcmF, ZINC ION
著者Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
登録日2015-02-15
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
4Y7O
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T6SS protein TssM C-terminal domain (869-1107) from EAEC
分子名称: Type VI secretion protein IcmF, Type VI secretion system protein VasD, ZINC ION
著者Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
登録日2015-02-15
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
6YVF
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BU of 6yvf by Molmil
Structure of SARS-CoV-2 Main Protease bound to AZD6482.
分子名称: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM 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2020-04-28
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
8G9Q
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BU of 8g9q by Molmil
Tricomplex of Compound-1, KRAS G12C, and CypA
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日2023-02-21
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023
1DQ7
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THREE-DIMENSIONAL STRUCTURE OF A NEUROTOXIN FROM RED SCORPION (BUTHUS TAMULUS) AT 2.2A RESOLUTION.
分子名称: NEUROTOXIN
著者Sharma, M, Yadav, S, Karthikeyan, S, Kumar, S, Paramasivam, M, Srinivasan, A, Singh, T.P.
登録日1999-12-30
公開日2000-12-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional Structure of a Neurotoxin from Red Scorpion (Buthus tamulus) at 2.2A Resolution
To be Published
1DS9
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SOLUTION STRUCTURE OF CHLAMYDOMONAS OUTER ARM DYNEIN LIGHT CHAIN 1
分子名称: OUTER ARM DYNEIN
著者Wu, H.W, Maciejewski, M.W, Marintchev, A, Benashski, S.E, Mullen, G.P, King, S.M.
登録日2000-01-07
公開日2000-07-26
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structure of a dynein motor domain associated light chain.
Nat.Struct.Biol., 7, 2000
8G5J
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Cryo-EM structure of the Mismatch Uncoupling Complex (II) of Human Mitochondrial DNA Polymerase Gamma
分子名称: DNA polymerase subunit gamma-1, DNA polymerase subunit gamma-2, mitochondrial, ...
著者Nayak, A.R, Buchel, G, Herbine, K.H, Sarfallah, A, Sokolova, V.O, Zamudio-Ochoa, A, Temiakov, D.
登録日2023-02-13
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Structural basis for DNA proofreading.
Nat Commun, 14, 2023

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