7KZX
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![BU of 7kzx by Molmil](/molmil-images/mine/7kzx) | Cryo-EM structure of YiiP-Fab complex in Apo state | Descriptor: | Cadmium and zinc efflux pump FieF, Fab2R heavy chain, Fab2R light chain | Authors: | Lopez-Redondo, M.L, Fan, S, Koide, A, Koide, S, Beckstein, O, Stokes, D.L. | Deposit date: | 2020-12-10 | Release date: | 2021-01-06 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Zinc binding alters the conformational dynamics and drives the transport cycle of the cation diffusion facilitator YiiP. J.Gen.Physiol., 153, 2021
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2PMQ
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![BU of 2pmq by Molmil](/molmil-images/mine/2pmq) | Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601 | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Sridhar, V, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-04-23 | Release date: | 2007-05-08 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of new enzymes and metabolic pathways by using structure and genome context. Nature, 502, 2013
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6I4I
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![BU of 6i4i by Molmil](/molmil-images/mine/6i4i) | Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-K-ADP-AlFn state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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3C5J
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![BU of 3c5j by Molmil](/molmil-images/mine/3c5j) | Crystal structure of HLA DR52c | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Elongation factor 1-alpha 2, HLA class II histocompatibility antigen, ... | Authors: | Dai, S, Kappler, J.W. | Deposit date: | 2008-01-31 | Release date: | 2008-08-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of HLA-DR52c: comparison to other HLA-DRB3 alleles. Proc.Natl.Acad.Sci.USA, 105, 2008
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7KYC
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![BU of 7kyc by Molmil](/molmil-images/mine/7kyc) | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf1-Lem3 complex in the E2P state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | Deposit date: | 2020-12-07 | Release date: | 2021-01-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases. Elife, 9, 2020
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7KGV
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![BU of 7kgv by Molmil](/molmil-images/mine/7kgv) | Crystal structure of sodium-coupled neutral amino acid transporter SLC38A9 in the N-terminal plugged form | Descriptor: | Monoclonal antibody Fab heavy chain, Monoclonal antibody Fab light chain, Sodium-coupled neutral amino acid transporter 9 | Authors: | Lei, H, Mu, X, Hattne, J, Gonen, T. | Deposit date: | 2020-10-19 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | A conformational change in the N terminus of SLC38A9 signals mTORC1 activation. Structure, 29, 2021
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7KJ4
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![BU of 7kj4 by Molmil](/molmil-images/mine/7kj4) | SARS-CoV-2 Spike Glycoprotein with three ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | Deposit date: | 2020-10-25 | Release date: | 2020-11-11 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent. Nat.Struct.Mol.Biol., 28, 2021
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6I4E
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![BU of 6i4e by Molmil](/molmil-images/mine/6i4e) | Crystal Structure of Plasmodium falciparum actin I in the Mg-ADP state | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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2PX5
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![BU of 2px5 by Molmil](/molmil-images/mine/2px5) | Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH (Orthorhombic crystal form) | Descriptor: | Genome polyprotein [Contains: Capsid protein C (Core protein); Envelope protein M (Matrix protein); Major envelope protein E; Non-structural protein 1 (NS1); Non-structural protein 2A (NS2A); Flavivirin protease NS2B regulatory subunit; Flavivirin protease NS3 catalytic subunit; Non-structural protein 4A (NS4A); Non-structural protein 4B (NS4B); RNA-directed RNA polymerase (EC 2.7.7.48) (NS5)], S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION | Authors: | Assenberg, R, Ren, J, Verma, A, Walter, T.S, Alderton, D, Hurrelbrink, R.J, Fuller, S.D, Owens, R.J, Stuart, D.I, Grimes, J.M, Oxford Protein Production Facility (OPPF) | Deposit date: | 2007-05-14 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the Murray Valley encephalitis virus NS5 methyltransferase domain in complex with cap analogues. J.Gen.Virol., 88, 2007
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3C9U
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![BU of 3c9u by Molmil](/molmil-images/mine/3c9u) | AaThiL complexed with ADP and TPP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THIAMINE DIPHOSPHATE, ... | Authors: | McCulloch, K.M, Kinsland, C, Begley, T.P, Ealick, S.E. | Deposit date: | 2008-02-18 | Release date: | 2008-03-18 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural studies of thiamin monophosphate kinase in complex with substrates and products. Biochemistry, 47, 2008
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7KRC
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![BU of 7krc by Molmil](/molmil-images/mine/7krc) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709) | Descriptor: | 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | Authors: | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-11-19 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. Acs Med.Chem.Lett., 12, 2021
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6I78
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![BU of 6i78 by Molmil](/molmil-images/mine/6i78) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 5 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2018-11-15 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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2PZE
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![BU of 2pze by Molmil](/molmil-images/mine/2pze) | Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Atwell, S, Conners, K, Emtage, S, Gheyi, T, Glenn, N.R, Hendle, J, Lewis, H.A, Lu, F, Rodgers, L.A, Romero, R, Sauder, J.M, Smith, D, Tien, H, Wasserman, S.R, Zhao, X. | Deposit date: | 2007-05-17 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant. Protein Eng.Des.Sel., 23, 2010
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2PUJ
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![BU of 2puj by Molmil](/molmil-images/mine/2puj) | Crystal Structure of the S112A/H265A double mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with its substrate HOPDA | Descriptor: | (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, ... | Authors: | Bhowmik, S, Bolin, J.T. | Deposit date: | 2007-05-09 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD. J.Biol.Chem., 282, 2007
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7KY5
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![BU of 7ky5 by Molmil](/molmil-images/mine/7ky5) | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the E2P transition state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, CHOLESTEROL, ... | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | Deposit date: | 2020-12-07 | Release date: | 2021-01-06 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases. Elife, 9, 2020
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5VHX
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![BU of 5vhx by Molmil](/molmil-images/mine/5vhx) | GluA2-1xGSG1L bound to ZK | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Germ cell-specific gene 1-like protein, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | Authors: | Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I. | Deposit date: | 2017-04-13 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (8.3 Å) | Cite: | Structural Bases of Desensitization in AMPA Receptor-Auxiliary Subunit Complexes. Neuron, 94, 2017
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7KZZ
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![BU of 7kzz by Molmil](/molmil-images/mine/7kzz) | Cryo-EM structure of YiiP-Fab complex in Holo state | Descriptor: | Cadmium and zinc efflux pump FieF, Fab2R heavy chain, Fab2R light chain, ... | Authors: | Lopez-Redondo, M.L, Fan, S, Koide, A, Koide, S, Beckstein, O, Stokes, D.L. | Deposit date: | 2020-12-10 | Release date: | 2021-01-06 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Zinc binding alters the conformational dynamics and drives the transport cycle of the cation diffusion facilitator YiiP. J.Gen.Physiol., 153, 2021
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5VK7
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![BU of 5vk7 by Molmil](/molmil-images/mine/5vk7) | |
2OU6
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![BU of 2ou6 by Molmil](/molmil-images/mine/2ou6) | |
2Z5O
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![BU of 2z5o by Molmil](/molmil-images/mine/2z5o) | Complex of Transportin 1 with JKTBP NLS | Descriptor: | Heterogeneous nuclear ribonucleoprotein D-like, Transportin-1 | Authors: | Imasaki, T, Shimizu, T, Hashimoto, H, Hidaka, Y, Kose, S, Imamoto, N, Yamada, M, Sato, M. | Deposit date: | 2007-07-14 | Release date: | 2007-10-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for substrate recognition and dissociation by human transportin 1 Mol.Cell, 28, 2007
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7MDX
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![BU of 7mdx by Molmil](/molmil-images/mine/7mdx) | LolCDE nucleotide-free | Descriptor: | (2R)-2-(tridecanoyloxy)propyl hexadecanoate, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ... | Authors: | Sharma, S, Liao, M. | Deposit date: | 2021-04-06 | Release date: | 2021-08-11 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins Nat Commun, 12, 2021
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2ZD1
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![BU of 2zd1 by Molmil](/molmil-images/mine/2zd1) | Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ... | Authors: | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | Deposit date: | 2007-11-16 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations. Proc.Natl.Acad.Sci.Usa, 105, 2008
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6IJ5
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![BU of 6ij5 by Molmil](/molmil-images/mine/6ij5) | |
2ORP
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![BU of 2orp by Molmil](/molmil-images/mine/2orp) | Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex | Descriptor: | 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ... | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-02-04 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
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6DBT
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![BU of 6dbt by Molmil](/molmil-images/mine/6dbt) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | Descriptor: | CALCIUM ION, Forward strand of 12-RSS substrate DNA, Forward strand of 23-RSS substrate DNA, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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