5MP2
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![BU of 5mp2 by Molmil](/molmil-images/mine/5mp2) | XcpQN012 in complex with VHH04 | Descriptor: | Camelid nanobody VHH04, Type II secretion system protein D | Authors: | Trinh, T.T.N, Roussel, A, Douzi, B, Voulhoux, R. | Deposit date: | 2016-12-15 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 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
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8CPI
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![BU of 8cpi by Molmil](/molmil-images/mine/8cpi) | Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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8CPJ
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![BU of 8cpj by Molmil](/molmil-images/mine/8cpj) | Crystal structure of PPAR gamma (PPARG) in an inactive form | Descriptor: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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5BXX
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![BU of 5bxx by Molmil](/molmil-images/mine/5bxx) | Crystal structure of the ectoine synthase from the cold-adapted marine bacterium Sphingopyxis alaskensis | Descriptor: | L-ectoine synthase | Authors: | Widderich, N, Kobus, S, Hoeppner, A, Bremer, E, Smits, S.H.J. | Deposit date: | 2015-06-09 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemistry and Crystal Structure of Ectoine Synthase: A Metal-Containing Member of the Cupin Superfamily. Plos One, 11, 2016
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3N9X
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![BU of 3n9x by Molmil](/molmil-images/mine/3n9x) | Crystal structure of Map Kinase from plasmodium berghei, PB000659.00.0 | Descriptor: | GLYCEROL, Phosphotransferase | Authors: | 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) | Deposit date: | 2010-05-31 | Release date: | 2010-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of Map Kinase from plasmodium berghei, PB000659.00.0 To be Published
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3VXN
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![BU of 3vxn by Molmil](/molmil-images/mine/3vxn) | HLA-A24 in complex with HIV-1 Nef134-10(wt) | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-09-20 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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5IKD
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![BU of 5ikd by Molmil](/molmil-images/mine/5ikd) | |
5IKO
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![BU of 5iko by Molmil](/molmil-images/mine/5iko) | Crystal structure of human brain glycogen phosphorylase | Descriptor: | Glycogen phosphorylase, brain form, HEXAETHYLENE GLYCOL, ... | Authors: | Mathieu, C, Li de la Sierra-Gallay, I, Xu, X, Haouz, A, Rodrigues-Lima, F. | Deposit date: | 2016-03-03 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into Brain Glycogen Metabolism: THE STRUCTURE OF HUMAN BRAIN GLYCOGEN PHOSPHORYLASE. J.Biol.Chem., 291, 2016
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4PWL
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![BU of 4pwl by Molmil](/molmil-images/mine/4pwl) | Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen) | Descriptor: | (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A, Piemontese, L. | Deposit date: | 2014-03-20 | Release date: | 2015-02-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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
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5MEQ
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![BU of 5meq by Molmil](/molmil-images/mine/5meq) | Human Leukocyte Antigen A02 presenting ILAKFLHTL | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K. | Deposit date: | 2016-11-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | 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
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7AA5
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![BU of 7aa5 by Molmil](/molmil-images/mine/7aa5) | Human TRPV4 structure in presence of 4a-PDD | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein | Authors: | 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. | Deposit date: | 2020-09-03 | Release date: | 2021-08-18 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.18 Å) | Cite: | Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation To Be Published
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7NB4
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![BU of 7nb4 by Molmil](/molmil-images/mine/7nb4) | Structure of Mcl-1 complex with compound 1 | Descriptor: | (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, ... | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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5C2W
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![BU of 5c2w by Molmil](/molmil-images/mine/5c2w) | Kuenenia stuttgartiensis Hydrazine Synthase Pressurized with 20 bar Xenon | Descriptor: | CALCIUM ION, CHLORIDE ION, HEME C, ... | Authors: | 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. | Deposit date: | 2015-06-16 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The inner workings of the hydrazine synthase multiprotein complex. Nature, 527, 2015
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3NG6
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![BU of 3ng6 by Molmil](/molmil-images/mine/3ng6) | 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 | Descriptor: | Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L. | Deposit date: | 2010-06-11 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An order-disorder transition plays a role in switching off the root effect in fish hemoglobins. J.Biol.Chem., 285, 2010
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7NB7
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![BU of 7nb7 by Molmil](/molmil-images/mine/7nb7) | Structure of Mcl-1 complex with compound 6b | Descriptor: | (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 | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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4XC3
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![BU of 4xc3 by Molmil](/molmil-images/mine/4xc3) | Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 gp41; crystals cryoprotected with rac-glycerol 1-phosphate | Descriptor: | 4E10 Fab heavy chain, 4E10 Fab light chain, MODIFIED FRAGMENT OF HIV-1 GLYCOPROTEIN (GP41) INCLUDING THE MPER REGION 671-683, ... | Authors: | Irimia, A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2014-12-17 | Release date: | 2016-02-03 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10. Immunity, 44, 2016
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4XCY
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![BU of 4xcy by Molmil](/molmil-images/mine/4xcy) | Crystal structure of human 4E10 Fab in complex with phosphatidylglycerol (06:0 PG) | Descriptor: | (2S)-3-{[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 4E10 Fab heavy chain, 4E10 Fab light chain, ... | Authors: | Irimia, A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2014-12-18 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.96 Å) | Cite: | Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10. Immunity, 44, 2016
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7AD5
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![BU of 7ad5 by Molmil](/molmil-images/mine/7ad5) | Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | Descriptor: | ACETATE ION, Avirulence protein LmJ1, GLYCEROL, ... | Authors: | 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. | Deposit date: | 2020-09-14 | Release date: | 2021-10-06 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022
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3A58
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![BU of 3a58 by Molmil](/molmil-images/mine/3a58) | Crystal structure of Sec3p - Rho1p complex from Saccharomyces cerevisiae | Descriptor: | Exocyst complex component SEC3, GTP-binding protein RHO1, MAGNESIUM ION, ... | Authors: | Yamashita, M, Sato, Y, Yamagata, A, Mimura, H, Yoshikawa, A, Fukai, S. | Deposit date: | 2009-08-03 | Release date: | 2010-01-12 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the Rho- and phosphoinositide-dependent localization of the exocyst subunit Sec3 Nat.Struct.Mol.Biol., 17, 2010
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1T6D
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![BU of 1t6d by Molmil](/molmil-images/mine/1t6d) | MIRAS phasing of the Aquifex aeolicus Ppx/GppA phosphatase: crystal structure of the type II variant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, exopolyphosphatase | Authors: | Kristensen, O, Laurberg, M, Liljas, A, Kastrup, J.S, Gajhede, M. | Deposit date: | 2004-05-06 | Release date: | 2004-08-03 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural characterization of the stringent response related exopolyphosphatase/guanosine pentaphosphate phosphohydrolase protein family Biochemistry, 43, 2004
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7A6Z
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![BU of 7a6z by Molmil](/molmil-images/mine/7a6z) | Structure of P226G BlaC from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ... | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | Deposit date: | 2020-08-27 | Release date: | 2021-10-06 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Conserved proline residues prevent dimerization and aggregation in the beta-lactamase BlaC. Protein Sci., 33, 2024
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7DAA
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![BU of 7daa by Molmil](/molmil-images/mine/7daa) | Crystal structure of basigin complexed with anti-basigin Fab fragment | Descriptor: | CADMIUM ION, Heavy chain of antibody Fab fragment, Isoform 2 of Basigin, ... | Authors: | Sakuragi, T, Kanai, R, Narita, H, Onishi, E, Miyazaki, T, Baba, T, Nakagawa, A, Toyoshima, C, Nagata, S. | Deposit date: | 2020-10-16 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | The tertiary structure of the human Xkr8-Basigin complex that scrambles phospholipids at plasma membranes. Nat.Struct.Mol.Biol., 28, 2021
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2HJR
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![BU of 2hjr by Molmil](/molmil-images/mine/2hjr) | Crystal Structure of Cryptosporidium parvum malate dehydrogenase | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CITRIC ACID, Malate dehydrogenase | Authors: | 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) | Deposit date: | 2006-06-30 | Release date: | 2006-08-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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5MNH
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![BU of 5mnh by Molmil](/molmil-images/mine/5mnh) | Cationic trypsin in complex with benzamidine (deuterated sample at 295 K) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNO
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![BU of 5mno by Molmil](/molmil-images/mine/5mno) | Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K) | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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