3DD5
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![BU of 3dd5 by Molmil](/molmil-images/mine/3dd5) | Glomerella cingulata E600-cutinase complex | Descriptor: | Cutinase, DIETHYL PHOSPHONATE | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | Deposit date: | 2008-06-05 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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3DCN
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![BU of 3dcn by Molmil](/molmil-images/mine/3dcn) | Glomerella cingulata apo cutinase | Descriptor: | Cutinase | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | Deposit date: | 2008-06-04 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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3DEA
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![BU of 3dea by Molmil](/molmil-images/mine/3dea) | Glomerella cingulata PETFP-cutinase complex | Descriptor: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one, Cutinase | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | Deposit date: | 2008-06-09 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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5ZCK
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![BU of 5zck by Molmil](/molmil-images/mine/5zck) | Structure of the RIP3 core region | Descriptor: | SODIUM ION, peptide from Receptor-interacting serine/threonine-protein kinase 3 | Authors: | Li, J, Wu, H. | Deposit date: | 2018-02-18 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.271 Å) | Cite: | The Structure of the Necrosome RIPK1-RIPK3 Core, a Human Hetero-Amyloid Signaling Complex. Cell, 173, 2018
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1WPP
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![BU of 1wpp by Molmil](/molmil-images/mine/1wpp) | Structure of Streptococcus gordonii inorganic pyrophosphatase | Descriptor: | CHLORIDE ION, Probable manganese-dependent inorganic pyrophosphatase, SULFATE ION, ... | Authors: | Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A. | Deposit date: | 2004-09-09 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion Biochemistry, 43, 2004
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1WPN
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![BU of 1wpn by Molmil](/molmil-images/mine/1wpn) | Crystal structure of the N-terminal core of Bacillus subtilis inorganic pyrophosphatase | Descriptor: | MANGANESE (II) ION, Manganese-dependent inorganic pyrophosphatase, SULFATE ION | Authors: | Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A. | Deposit date: | 2004-09-09 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion Biochemistry, 43, 2004
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1WPM
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![BU of 1wpm by Molmil](/molmil-images/mine/1wpm) | Structure of Bacillus subtilis inorganic pyrophosphatase | Descriptor: | Manganese-dependent inorganic pyrophosphatase, SULFATE ION, TETRAETHYLENE GLYCOL | Authors: | Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A. | Deposit date: | 2004-09-09 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion Biochemistry, 43, 2004
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5OEW
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![BU of 5oew by Molmil](/molmil-images/mine/5oew) | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538 | Descriptor: | 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, GLUTAMIC ACID, ... | Authors: | Larsen, A.P, Frydenvang, K.A, Kastrup, J.S. | Deposit date: | 2017-07-10 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency. J. Med. Chem., 61, 2018
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2AUC
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![BU of 2auc by Molmil](/molmil-images/mine/2auc) | Structure of the Plasmodium MTIP-MyoA complex, a key component of the parasite invasion motor | Descriptor: | Myosin A, Myosin A Tail Interacting Protein | Authors: | Bosch, J, Turley, S, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | Deposit date: | 2005-08-27 | Release date: | 2006-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the MTIP-MyoA complex, a key component of the malaria parasite invasion motor. Proc.Natl.Acad.Sci.Usa, 103, 2006
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5KUY
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![BU of 5kuy by Molmil](/molmil-images/mine/5kuy) | |
5LXS
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![BU of 5lxs by Molmil](/molmil-images/mine/5lxs) | Tubulin-KS-1-199-32 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Steinmetz, M.O. | Deposit date: | 2016-09-22 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis of Microtubule Stabilization by Discodermolide. Chembiochem, 18, 2017
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5LXT
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![BU of 5lxt by Molmil](/molmil-images/mine/5lxt) | Tubulin-Discodermolide complex | Descriptor: | (+)-Discodermolide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Prota, A.E, Steinmetz, M.O. | Deposit date: | 2016-09-22 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of Microtubule Stabilization by Discodermolide. Chembiochem, 18, 2017
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5MP6
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![BU of 5mp6 by Molmil](/molmil-images/mine/5mp6) | Structure of the Unliganded Fab from HIV-1 Neutralizing Antibody CAP248-2B that Binds to the gp120 C-terminus - gp41 Interface, at two Angstrom resolution. | Descriptor: | CAP248-2B Heavy Chain, CAP248-2B Light Chain, SULFATE ION | Authors: | Wibmer, C.K, Gorman, J, Kwong, P.D. | Deposit date: | 2016-12-15 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.959 Å) | Cite: | Structure and Recognition of a Novel HIV-1 gp120-gp41 Interface Antibody that Caused MPER Exposure through Viral Escape. PLoS Pathog., 13, 2017
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5M5Q
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![BU of 5m5q by Molmil](/molmil-images/mine/5m5q) | COPS5(2-257) IN COMPLEX WITH A AZAINDOLE (COMPOUND 4) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[(3~{R})-3-(1~{H}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one, COP9 signalosome complex subunit 5, ... | Authors: | Renatus, M, Altmann, E. | Deposit date: | 2016-10-22 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Azaindoles as Zinc-Binding Small-Molecule Inhibitors of the JAMM Protease CSN5. Angew. Chem. Int. Ed. Engl., 56, 2017
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5NNW
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![BU of 5nnw by Molmil](/molmil-images/mine/5nnw) | NLPPya in complex with glucosamine | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose, 25 kDa protein elicitor, MAGNESIUM ION | Authors: | Podobnik, M, Anderluh, G, Lenarcic, T. | Deposit date: | 2017-04-10 | Release date: | 2017-12-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins. Science, 358, 2017
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5NO9
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![BU of 5no9 by Molmil](/molmil-images/mine/5no9) | NLPPya in complex with mannosamine | Descriptor: | 2-amino-2-deoxy-alpha-D-mannopyranose, 25 kDa protein elicitor, MAGNESIUM ION | Authors: | Podobnik, M, Anderluh, G, Lenarcic, T. | Deposit date: | 2017-04-11 | Release date: | 2017-12-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins. Science, 358, 2017
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5M45
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![BU of 5m45 by Molmil](/molmil-images/mine/5m45) | Structure of Acetone Carboxylase purified from Xanthobacter autotrophicus | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | Authors: | Kabasakal, B.V, Wells, J.N, Nwaobi, B.C, Eilers, B.J, Peters, J.W, Murray, J.W. | Deposit date: | 2016-10-18 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation. Sci Rep, 7, 2017
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5LRQ
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![BU of 5lrq by Molmil](/molmil-images/mine/5lrq) | BRD4 in complex with ERK5 inhibitor XMD8-92 | Descriptor: | 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Martin, M.P, Noble, M.E.M. | Deposit date: | 2016-08-19 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4. Eur.J.Med.Chem., 178, 2019
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5NPT
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![BU of 5npt by Molmil](/molmil-images/mine/5npt) | Structure of the N-terminal domain of the yeast telomerase reverse transcriptase | Descriptor: | Telomerase reverse transcriptase | Authors: | Rodina, E.V, Lebedev, A.A, Hakanpaa, J, Hackenberg, C, Petrova, O.A, Zvereva, M.I, Dontsova, O.A, Lamzin, V.S. | Deposit date: | 2017-04-18 | Release date: | 2017-12-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and function of the N-terminal domain of the yeast telomerase reverse transcriptase. Nucleic Acids Res., 46, 2018
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1FFQ
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![BU of 1ffq by Molmil](/molmil-images/mine/1ffq) | CRYSTAL STRUCTURE OF CHITINASE A COMPLEXED WITH ALLOSAMIDIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE A | Authors: | Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K. | Deposit date: | 2000-07-26 | Release date: | 2003-02-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novo purification scheme and crystallization conditions yield high-resolution structures of chitinase A and its complex with the inhibitor allosamidin. Acta Crystallogr.,Sect.D, 59, 2003
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2MUS
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![BU of 2mus by Molmil](/molmil-images/mine/2mus) | HADDOCK calculated model of LIN5001 bound to the HET-s amyloid | Descriptor: | 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s | Authors: | Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. | Deposit date: | 2014-09-16 | Release date: | 2017-02-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure-based drug design identifies polythiophenes as antiprion compounds. Sci Transl Med, 7, 2015
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1FLR
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![BU of 1flr by Molmil](/molmil-images/mine/1flr) | 4-4-20 FAB FRAGMENT | Descriptor: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 4-4-20 (IG*G2A=KAPPA=) FAB FRAGMENT | Authors: | Whitlow, M. | Deposit date: | 1995-01-19 | Release date: | 1995-09-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 1.85 A structure of anti-fluorescein 4-4-20 Fab. Protein Eng., 8, 1995
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4XRT
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![BU of 4xrt by Molmil](/molmil-images/mine/4xrt) | Crystal structure of the di-domain ARO/CYC StfQ from the steffimycin biosynthetic pathway | Descriptor: | FORMIC ACID, StfQ Aromatase/Cyclase | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | Deposit date: | 2015-01-21 | Release date: | 2015-12-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XRW
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![BU of 4xrw by Molmil](/molmil-images/mine/4xrw) | Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | Deposit date: | 2015-01-21 | Release date: | 2015-12-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4WMU
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![BU of 4wmu by Molmil](/molmil-images/mine/4wmu) | STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ... | Authors: | Clifton, M.C, Faiman, J.W. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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