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5MP2
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BU of 5mp2 by Molmil
XcpQN012 in complex with VHH04
分子名称: Camelid nanobody VHH04, Type II secretion system protein D
著者Trinh, T.T.N, Roussel, A, Douzi, B, Voulhoux, R.
登録日2016-12-15
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Unraveling the Self-Assembly of the Pseudomonas aeruginosa XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics.
MBio, 8, 2017
8CPI
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BU of 8cpi by Molmil
Crystal structure of PPAR gamma (PPARG) in complex with WY-14643
分子名称: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-03-02
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
8CPJ
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BU of 8cpj by Molmil
Crystal structure of PPAR gamma (PPARG) in an inactive form
分子名称: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-03-02
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
5BXX
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BU of 5bxx by Molmil
Crystal structure of the ectoine synthase from the cold-adapted marine bacterium Sphingopyxis alaskensis
分子名称: L-ectoine synthase
著者Widderich, N, Kobus, S, Hoeppner, A, Bremer, E, Smits, S.H.J.
登録日2015-06-09
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemistry and Crystal Structure of Ectoine Synthase: A Metal-Containing Member of the Cupin Superfamily.
Plos One, 11, 2016
3N9X
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BU of 3n9x by Molmil
Crystal structure of Map Kinase from plasmodium berghei, PB000659.00.0
分子名称: GLYCEROL, Phosphotransferase
著者Wernimont, A.K, Hutchinson, A, Sullivan, H, MacKenzie, F, Kozieradzki, I, Chau, I, Lew, J, Senisterra, G, Artz, J, Amani, M, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-05-31
公開日2010-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Map Kinase from plasmodium berghei, PB000659.00.0
To be Published
3VXN
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BU of 3vxn by Molmil
HLA-A24 in complex with HIV-1 Nef134-10(wt)
分子名称: 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A.
登録日2012-09-20
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection
SCI REP, 3, 2013
5IKD
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BU of 5ikd by Molmil
Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
分子名称: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Romero, A, Davo-Siguero, I, Martinez, A.T.
登録日2016-03-03
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.109 Å)
主引用文献Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Catalysis Science And Technology, 2016
5IKO
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BU of 5iko by Molmil
Crystal structure of human brain glycogen phosphorylase
分子名称: Glycogen phosphorylase, brain form, HEXAETHYLENE GLYCOL, ...
著者Mathieu, C, Li de la Sierra-Gallay, I, Xu, X, Haouz, A, Rodrigues-Lima, F.
登録日2016-03-03
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into Brain Glycogen Metabolism: THE STRUCTURE OF HUMAN BRAIN GLYCOGEN PHOSPHORYLASE.
J.Biol.Chem., 291, 2016
4PWL
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BU of 4pwl by Molmil
Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen)
分子名称: (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A, Piemontese, L.
登録日2014-03-20
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
5MEQ
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BU of 5meq by Molmil
Human Leukocyte Antigen A02 presenting ILAKFLHTL
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K.
登録日2016-11-16
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
7AA5
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BU of 7aa5 by Molmil
Human TRPV4 structure in presence of 4a-PDD
分子名称: CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein
著者Botte, M, Ulrich, A.K.G, Adaixo, R, Gnutt, D, Brockmann, A, Bucher, D, Chami, M, Bocquet, M, Ebbinghaus-Kintscher, U, Puetter, V, Becker, A, Egner, U, Stahlberg, H, Hennig, M, Holton, S.J.
登録日2020-09-03
公開日2021-08-18
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation
To Be Published
7NB4
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BU of 7nb4 by Molmil
Structure of Mcl-1 complex with compound 1
分子名称: (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
5C2W
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BU of 5c2w by Molmil
Kuenenia stuttgartiensis Hydrazine Synthase Pressurized with 20 bar Xenon
分子名称: CALCIUM ION, CHLORIDE ION, HEME C, ...
著者Dietl, A, Ferousi, C, Maalcke, W.J, Menzel, A, de Vries, S, Keltjens, J.T, Jetten, M.S.M, Kartal, B, Barends, T.R.M.
登録日2015-06-16
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The inner workings of the hydrazine synthase multiprotein complex.
Nature, 527, 2015
3NG6
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BU of 3ng6 by Molmil
The crystal structure of hemoglobin I from Trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added
分子名称: Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE
著者Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L.
登録日2010-06-11
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An order-disorder transition plays a role in switching off the root effect in fish hemoglobins.
J.Biol.Chem., 285, 2010
7NB7
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BU of 7nb7 by Molmil
Structure of Mcl-1 complex with compound 6b
分子名称: (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
4XC3
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BU of 4xc3 by Molmil
Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 gp41; crystals cryoprotected with rac-glycerol 1-phosphate
分子名称: 4E10 Fab heavy chain, 4E10 Fab light chain, MODIFIED FRAGMENT OF HIV-1 GLYCOPROTEIN (GP41) INCLUDING THE MPER REGION 671-683, ...
著者Irimia, A, Stanfield, R.L, Wilson, I.A.
登録日2014-12-17
公開日2016-02-03
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
4XCY
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BU of 4xcy by Molmil
Crystal structure of human 4E10 Fab in complex with phosphatidylglycerol (06:0 PG)
分子名称: (2S)-3-{[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 4E10 Fab heavy chain, 4E10 Fab light chain, ...
著者Irimia, A, Stanfield, R.L, Wilson, I.A.
登録日2014-12-18
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.96 Å)
主引用文献Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
7AD5
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BU of 7ad5 by Molmil
Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans
分子名称: ACETATE ION, Avirulence protein LmJ1, GLYCEROL, ...
著者Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I.
登録日2020-09-14
公開日2021-10-06
最終更新日2022-07-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
3A58
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BU of 3a58 by Molmil
Crystal structure of Sec3p - Rho1p complex from Saccharomyces cerevisiae
分子名称: Exocyst complex component SEC3, GTP-binding protein RHO1, MAGNESIUM ION, ...
著者Yamashita, M, Sato, Y, Yamagata, A, Mimura, H, Yoshikawa, A, Fukai, S.
登録日2009-08-03
公開日2010-01-12
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the Rho- and phosphoinositide-dependent localization of the exocyst subunit Sec3
Nat.Struct.Mol.Biol., 17, 2010
1T6D
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BU of 1t6d by Molmil
MIRAS phasing of the Aquifex aeolicus Ppx/GppA phosphatase: crystal structure of the type II variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, exopolyphosphatase
著者Kristensen, O, Laurberg, M, Liljas, A, Kastrup, J.S, Gajhede, M.
登録日2004-05-06
公開日2004-08-03
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural characterization of the stringent response related exopolyphosphatase/guanosine pentaphosphate phosphohydrolase protein family
Biochemistry, 43, 2004
7A6Z
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BU of 7a6z by Molmil
Structure of P226G BlaC from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ...
著者Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
登録日2020-08-27
公開日2021-10-06
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conserved proline residues prevent dimerization and aggregation in the beta-lactamase BlaC.
Protein Sci., 33, 2024
7DAA
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BU of 7daa by Molmil
Crystal structure of basigin complexed with anti-basigin Fab fragment
分子名称: CADMIUM ION, Heavy chain of antibody Fab fragment, Isoform 2 of Basigin, ...
著者Sakuragi, T, Kanai, R, Narita, H, Onishi, E, Miyazaki, T, Baba, T, Nakagawa, A, Toyoshima, C, Nagata, S.
登録日2020-10-16
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献The tertiary structure of the human Xkr8-Basigin complex that scrambles phospholipids at plasma membranes.
Nat.Struct.Mol.Biol., 28, 2021
2HJR
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BU of 2hjr by Molmil
Crystal Structure of Cryptosporidium parvum malate dehydrogenase
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, CITRIC ACID, Malate dehydrogenase
著者Wernimont, A.K, Dong, A, Lew, J, Hassani, A, Ren, H, Qiu, W, Kozieradzki, I, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2006-06-30
公開日2006-08-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
5MNH
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BU of 5mnh by Molmil
Cationic trypsin in complex with benzamidine (deuterated sample at 295 K)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MNO
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Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K)
分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018

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