4PBU
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![BU of 4pbu by Molmil](/molmil-images/mine/4pbu) | Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P. | Deposit date: | 2014-04-13 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser. Nature, 513, 2014
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1EWA
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![BU of 1ewa by Molmil](/molmil-images/mine/1ewa) | Dehaloperoxidase and 4-iodophenol | Descriptor: | 4-IODOPHENOL, DEHALOPEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | LaCount, M.W, Zhang, E, Chen, Y.P, Han, K, Whitton, M.M, Lincoln, D.E, Woodin, S.A, Lebioda, L. | Deposit date: | 2000-04-24 | Release date: | 2000-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure and amino acid sequence of dehaloperoxidase from Amphitrite ornata indicate common ancestry with globins J.Biol.Chem., 275, 2000
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8OSB
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![BU of 8osb by Molmil](/molmil-images/mine/8osb) | TWIST1-TCF4-ALX4 complex on specific DNA | Descriptor: | DNA (25-MER), Homeobox protein aristaless-like 4, Transcription factor 4, ... | Authors: | Morgunova, E, Kim, S, Popov, A, Wysocka, J, Taipale, J. | Deposit date: | 2023-04-18 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | DNA-guided transcription factor cooperativity shapes face and limb mesenchyme. Cell, 187, 2024
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4FJW
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8P1O
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![BU of 8p1o by Molmil](/molmil-images/mine/8p1o) | Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives | Descriptor: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ... | Authors: | Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A. | Deposit date: | 2023-05-12 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives. Acs Med.Chem.Lett., 15, 2024
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4UMC
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![BU of 4umc by Molmil](/molmil-images/mine/4umc) | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water | Descriptor: | L-PHOSPHOLACTATE, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | Deposit date: | 2014-05-16 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water. Bioorg.Chem., 57, 2014
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4UJ4
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![BU of 4uj4 by Molmil](/molmil-images/mine/4uj4) | Crystal structure of human Rab11-Rabin8-FIP3 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rab-3A-interacting protein, ... | Authors: | Vetter, M, Lorentzen, E. | Deposit date: | 2015-04-08 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of Rab11-FIP3-Rabin8 reveals simultaneous binding of FIP3 and Rabin8 effectors to Rab11. Nat. Struct. Mol. Biol., 22, 2015
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8XOJ
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![BU of 8xoj by Molmil](/molmil-images/mine/8xoj) | Cryo-EM structure of GPR30-Gq complex structure in the presence of G-1 | Descriptor: | G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, H, Xu, P, Xu, H.E. | Deposit date: | 2024-01-01 | Release date: | 2024-04-10 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor. Cell Res., 34, 2024
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1MQD
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![BU of 1mqd by Molmil](/molmil-images/mine/1mqd) | X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-Des-Me-AMPA at 1.46 A resolution. Crystallization in the presence of lithium sulfate. | Descriptor: | (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID, GLYCEROL, Glutamate receptor subunit 2, ... | Authors: | Kasper, C, Lunn, M.-L, Liljefors, T, Gouaux, E, Egebjerg, J, Kastrup, J.S. | Deposit date: | 2002-09-16 | Release date: | 2003-07-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | GluR2 ligand-binding core complexes: Importance of the isoxazolol moiety and 5-substituent for the binding mode of AMPA-type agonists. FEBS Lett., 531, 2002
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1TOS
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![BU of 1tos by Molmil](/molmil-images/mine/1tos) | TORPEDO CALIFORNICA ACHR RECEPTOR [ALA76] ANALOGUE COMPLEXED WITH THE ANTI-ACETYLCHOLINE MAB6 MONOCLONAL ANTIBODY | Descriptor: | ACETYLCHOLINE RECEPTOR [ALA76] MIR ANALOGUE | Authors: | Orlewski, P, Tsikaris, V, Sakarellos, C, Sakarellos-Daistiotis, M, Vatzaki, E, Tzartos, S.J, Marraud, M, Cung, M.T. | Deposit date: | 1995-10-11 | Release date: | 1996-03-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Compared structures of the free nicotinic acetylcholine receptor main immunogenic region (MIR) decapeptide and the antibody-bound [A76]MIR analogue: a molecular dynamics simulation from two-dimensional NMR data. Biopolymers, 40, 1996
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7KQ9
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8XOH
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![BU of 8xoh by Molmil](/molmil-images/mine/8xoh) | Cryo-EM structure of GPR30-Gq complex structure in the presence of E2 | Descriptor: | G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, H, Xu, P, Xu, H.E. | Deposit date: | 2024-01-01 | Release date: | 2024-04-10 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor. Cell Res., 34, 2024
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8X17
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![BU of 8x17 by Molmil](/molmil-images/mine/8x17) | Cryo-EM structure of adenosine receptor A3AR bound to CF102 | Descriptor: | Adenosine receptor A3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Cai, H, Xu, Y, Xu, H.E. | Deposit date: | 2023-11-06 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists. Nat Commun, 15, 2024
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5A62
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![BU of 5a62 by Molmil](/molmil-images/mine/5a62) | Hydrolytic potential of the ammonia-oxidizing Thaumarchaeon Nitrososphaera gargenis - crystal structure and activity profiles of carboxylesterases linked to their metabolic function | Descriptor: | ACETATE ION, PUTATIVE ALPHA/BETA HYDROLASE FOLD PROTEIN | Authors: | Chow, J, Kaljunen, H, Nittinger, E, Spieck, E, Rarey, M, Mueller-Dieckmann, J, Streit, W.R. | Deposit date: | 2015-06-24 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydrolytic Potential of the Ammonia-Oxidizing Thaumarchaeon Nitrososphaera Gargenis - Crystal Structure and Activity Profiles of Carboxylesterases Linked to Their Metabolic Function To be Published
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8OJC
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![BU of 8ojc by Molmil](/molmil-images/mine/8ojc) | HSV-1 DNA polymerase active site in alternative exonuclease state | Descriptor: | CALCIUM ION, DNA (47-MER), DNA polymerase catalytic subunit | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | Deposit date: | 2023-03-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.08 Å) | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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5KJZ
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![BU of 5kjz by Molmil](/molmil-images/mine/5kjz) | Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cGMP | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit | Authors: | Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W. | Deposit date: | 2016-06-20 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.347 Å) | Cite: | Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity. Biochem. J., 474, 2017
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4UJ3
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![BU of 4uj3 by Molmil](/molmil-images/mine/4uj3) | Crystal structure of human Rab11-Rabin8-FIP3 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-3A-INTERACTING PROTEIN, ... | Authors: | Vetter, M, Lorentzen, E. | Deposit date: | 2015-04-08 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Rab11-Fip3-Rabin8 Reveals Simultaneous Binding of Fip3 and Rabin8 Effectors to Rab11. Nat.Struct.Mol.Biol., 22, 2015
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1TW1
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![BU of 1tw1 by Molmil](/molmil-images/mine/1tw1) | beta-1,4-galactosyltransferase mutant Met344His (m344H-Gal-T1) complex with UDP-galactose and magnesium | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-1,4-galactosyltransferase 1, ... | Authors: | Ramakrishnan, B, Boeggeman, E, Qasba, P.K. | Deposit date: | 2004-06-30 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Effect of the Met344His mutation on the conformational dynamics of bovine beta-1,4-galactosyltransferase: crystal structure of the Met344His mutant in complex with chitobiose Biochemistry, 43, 2004
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1TWJ
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4FEW
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![BU of 4few by Molmil](/molmil-images/mine/4few) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2 | Descriptor: | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
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6EWO
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![BU of 6ewo by Molmil](/molmil-images/mine/6ewo) | Crystal structure of non-phosphorylated form of RTF PHOSPHOPEPTIDE BOUND TO HLA-A2 in complex with LILRB1 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Mohammed, F, Stones, D.H, Willcox, B.E. | Deposit date: | 2017-11-06 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Application of the immunoregulatory receptor LILRB1 as a crystallisation chaperone for human class I MHC complexes. J. Immunol. Methods, 464, 2019
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8OJA
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![BU of 8oja by Molmil](/molmil-images/mine/8oja) | HSV-1 DNA polymerase-processivity factor complex in exonuclease state | Descriptor: | CALCIUM ION, DNA (47-MER), DNA (68-MER), ... | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | Deposit date: | 2023-03-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (1.87 Å) | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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3VD5
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![BU of 3vd5 by Molmil](/molmil-images/mine/3vd5) | E. coli (lacZ) beta-galactosidase (N460S) | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | Deposit date: | 2012-01-04 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability. Arch.Biochem.Biophys., 521, 2012
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8OKF
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![BU of 8okf by Molmil](/molmil-images/mine/8okf) | WD repeat containing protein 5 (WDR5)- PER2 peptide | Descriptor: | CHLORIDE ION, Glutathione S-transferase class-mu 26 kDa isozyme,WD repeat domain 5, PENTAETHYLENE GLYCOL, ... | Authors: | Wolf, E, Boergel, A. | Deposit date: | 2023-03-28 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A structural competition involving WDR5 times circadian oscillations To Be Published
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8XOG
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![BU of 8xog by Molmil](/molmil-images/mine/8xog) | Cryo-EM structure of apo-GPR30-Gq complex structure | Descriptor: | G-protein coupled estrogen receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, H, Xu, P, Xu, H.E. | Deposit date: | 2024-01-01 | Release date: | 2024-04-10 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor. Cell Res., 34, 2024
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