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2QFZ
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Crystal structure of human TBC1 domain family member 22A
分子名称: TBC1 domain family member 22A, UNKNOWN ATOM OR ION
著者Tong, Y, Tempel, W, Dimov, S, Dong, A, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2007-06-28
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human TBC1 domain family member 22A.
To be Published
2QKO
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BU of 2qko by Molmil
Crystal structure of transcriptional regulator RHA06399 from Rhodococcus sp. RHA1
分子名称: Possible transcriptional regulator, TetR family protein
著者Chang, C, Xu, X, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-07-11
公開日2007-07-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of tetR family protein.
To be Published
2QMA
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BU of 2qma by Molmil
Crystal structure of glutamate decarboxylase domain of diaminobutyrate-pyruvate transaminase and L-2,4-diaminobutyrate decarboxylase from Vibrio parahaemolyticus
分子名称: 1,2-ETHANEDIOL, Diaminobutyrate-pyruvate transaminase and L-2,4-diaminobutyrate decarboxylase
著者Osipiuk, J, Sather, A, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-07-14
公開日2007-07-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献X-ray crystal structure of glutamate decarboxylase domain of diaminobutyrate-pyruvate transaminase and L-2,4-diaminobutyrate decarboxylase from Vibrio parahaemolyticus.
To be Published
2QNP
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BU of 2qnp by Molmil
HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-07-19
公開日2008-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
2QQ1
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BU of 2qq1 by Molmil
Crystal Structure Of Molybdenum Cofactor Biosynthesis (aq_061) Other Form From Aquifex Aeolicus Vf5
分子名称: Molybdenum cofactor biosynthesis MOG
著者Jeyakanthan, J, Mahesh, S, Kanaujia, S.P, Ramakumar, S, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-07-26
公開日2008-07-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure Of Molybdenum Cofactor Biosynthesis (aq_061) Other Form From Aquifex Aeolicus Vf5
To be Published
2QYH
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BU of 2qyh by Molmil
Crystal structure of the hypothetical protein (gk1056) from geobacillus kaustophilus HTA426
分子名称: GLYCEROL, Hypothetical conserved protein, GK1056
著者Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-08-15
公開日2008-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the hypothetical protein (gk1056) from geobacillus kaustophilus HTA426
To be Published
2R43
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BU of 2r43 by Molmil
I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, GLYCEROL, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), ...
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-08-30
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
2QG7
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BU of 2qg7 by Molmil
Plasmodium vivax ethanolamine kinase Pv091845
分子名称: SULFATE ION, ethanolamine kinase Pv091845
著者Lunin, V.V, Wernimont, A.K, Mulichak, A, Lew, J, Wasney, G, Senisterra, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Hills, T, Artz, J, Xiao, T, Structural Genomics Consortium (SGC)
登録日2007-06-28
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Plasmodium vivax ethanolamine kinase Pv091845
TO BE PUBLISHED
2QER
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BU of 2qer by Molmil
Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro
分子名称: ALANINE, Cyclophilin-like protein, putative, ...
著者Wernimont, A.K, Lew, J, Hills, T, Hassanali, A, Lin, L, Wasney, G, Zhao, Y, Kozieradzki, I, Vedadi, M, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
登録日2007-06-26
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro.
To be Published
4M3D
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BU of 4m3d by Molmil
Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
2QNA
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BU of 2qna by Molmil
Crystal structure of human Importin-beta (127-876) in complex with the IBB-domain of Snurportin1 (1-65)
分子名称: Importin subunit beta-1, SULFATE ION, Snurportin-1
著者Wohlwend, D, Strasser, A, Dickmanns, A, Ficner, R.
登録日2007-07-18
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structural basis for RanGTP independent entry of spliceosomal U snRNPs into the nucleus.
J.Mol.Biol., 374, 2007
2QNQ
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BU of 2qnq by Molmil
HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide)
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-07-19
公開日2008-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
3QUL
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BU of 3qul by Molmil
Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S)
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
著者Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A.
登録日2011-02-24
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics.
Eur.J.Immunol., 42, 2012
3QWP
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BU of 3qwp by Molmil
Crystal structure of SET and MYND domain containing 3; Zinc finger MYND domain-containing protein 1
分子名称: GLYCEROL, S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ...
著者Dong, A, Dombrovski, L, Li, Y, Wernimont, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-02-28
公開日2011-04-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The Crystal Structure of human Histone-lysine N-methyltransferase SMYD3
To be Published
2OXC
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BU of 2oxc by Molmil
Human DEAD-box RNA helicase DDX20, DEAD domain in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Probable ATP-dependent RNA helicase DDX20
著者Karlberg, T, Ogg, D, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-02-20
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Human DEAD-box RNA helicase DDX20
To be Published
3QNW
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BU of 3qnw by Molmil
Caspase-6 in complex with Z-VAD-FMK inhibitor
分子名称: Caspase-6, Z-VAD-FMK
著者Mueller, I, Lamers, M, Ritchie, A, Park, H, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A.
登録日2011-02-09
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of human caspase-6 in complex with Z-VAD-FMK: New peptide binding mode observed for the non-canonical caspase conformation.
Bioorg.Med.Chem.Lett., 21, 2011
2QU8
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BU of 2qu8 by Molmil
Crystal structure of putative nucleolar GTP-binding protein 1 PFF0625w from Plasmodium falciparum
分子名称: GUANOSINE-5'-DIPHOSPHATE, Putative nucleolar GTP-binding protein 1
著者Wernimont, A.K, Lew, J, Lin, Y.H, Kozieradzki, I, Zhao, Y, Ravichandran, M, Shapiro, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Sukumar, D, Hassanali, A, Structural Genomics Consortium (SGC)
登録日2007-08-03
公開日2007-08-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of putative nucleolar GTP-binding protein 1 PFF0625w from Plasmodium falciparum.
To be Published
1W0Y
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tf7a_3771 complex
分子名称: 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
著者Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
登録日2004-05-27
公開日2005-01-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1W1S
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Plant Cytokinin Dehydrogenase in Complex with Benzylaminopurine
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, CYTOKININ DEHYDROGENASE, ...
著者Malito, E, Mattevi, A.
登録日2004-06-23
公開日2004-08-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis
J.Mol.Biol., 341, 2004
3QH2
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BU of 3qh2 by Molmil
Crystal structure of TenI from Bacillus subtilis complexed with product cThz-P
分子名称: 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, Regulatory protein tenI, SULFATE ION
著者Han, Y, Zhang, Y, Hazra, A, Chatterjee, A, Lai, R, Begley, T.P, Ealick, S.E.
登録日2011-01-25
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.231 Å)
主引用文献A Missing Enzyme in Thiamin Thiazole Biosynthesis: Identification of TenI as a Thiazole Tautomerase.
J.Am.Chem.Soc., 133, 2011
2R3T
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BU of 2r3t by Molmil
I50V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor
分子名称: 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, Protease
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-08-30
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
2QM0
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BU of 2qm0 by Molmil
Crystal structure of BES protein from Bacillus cereus
分子名称: BES, SULFATE ION
著者Kim, Y, Maltseva, N, Zawadzka, A, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-07-13
公開日2007-07-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structure of BES from Bacillus cereus.
To be Published
2N7H
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Hybrid structure of the Type 1 Pilus of Uropathogenic E.coli
分子名称: FimA
著者Habenstein, B, Loquet, A, Giller, K, Vasa, S, Becker, S, Habeck, M, Lange, A.
登録日2015-09-11
公開日2015-09-23
最終更新日2015-10-14
実験手法SOLID-STATE NMR
主引用文献Hybrid Structure of the Type 1 Pilus of Uropathogenic Escherichia coli.
Angew.Chem.Int.Ed.Engl., 54, 2015
2N9N
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solution structure of VG16KRKP in C.neoformans (conformation 1)
分子名称: antimicrobial peptide
著者Bhunia, A, Datta, A.
登録日2015-12-01
公開日2016-10-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献solution structure of VG16KRKP in C.neoformans (conformation 1)
To be Published
1TBZ
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BU of 1tbz by Molmil
HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN
分子名称: ALPHA-THROMBIN, D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide, HIRUGEN, ...
著者Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A.
登録日1998-02-05
公開日1998-05-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996

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