8JYP
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![BU of 8jyp by Molmil](/molmil-images/mine/8jyp) | Structure of SARS-CoV-2 XBB.1.5 spike RBD in complex with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T. | Deposit date: | 2023-07-03 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Virological characteristics of the SARS-CoV-2 XBB.1.5 variant To Be Published
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6WIK
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![BU of 6wik by Molmil](/molmil-images/mine/6wik) | Cryo-EM structure of SLC40/ferroportin with Fab in the presence of hepcidin | Descriptor: | 11F9 Fab heavy-chain, 11F9 Fab light-chain, Solute carrier family 40 protein | Authors: | Shen, J, Ren, Z, Pan, Y, Gao, S, Yan, N, Zhou, M. | Deposit date: | 2020-04-10 | Release date: | 2020-11-11 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of ion transport and inhibition in ferroportin. Nat Commun, 11, 2020
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8JYN
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![BU of 8jyn by Molmil](/molmil-images/mine/8jyn) | Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (1-up state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T. | Deposit date: | 2023-07-03 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Virological characteristics of the SARS-CoV-2 XBB.1.5 variant To Be Published
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6X4O
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![BU of 6x4o by Molmil](/molmil-images/mine/6x4o) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21) | Descriptor: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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5ZHO
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![BU of 5zho by Molmil](/molmil-images/mine/5zho) | |
8JYO
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![BU of 8jyo by Molmil](/molmil-images/mine/8jyo) | Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (2-up state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T. | Deposit date: | 2023-07-03 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Virological characteristics of the SARS-CoV-2 XBB.1.5 variant To Be Published
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8KFX
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![BU of 8kfx by Molmil](/molmil-images/mine/8kfx) | Gi bound CCR8 complex with nonpeptide agonist LMD-009 | Descriptor: | 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Jiang, S, Lin, X, Wu, L.J, Xu, F. | Deposit date: | 2023-08-16 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8. Sci Adv, 10, 2024
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8KFZ
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![BU of 8kfz by Molmil](/molmil-images/mine/8kfz) | Gi bound CCR8 in ligand free state | Descriptor: | C-C chemokine receptor type 8,LgBiT fusion protein,Recombinant Human Rhinovirus, 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: | Jiang, S, Lin, X, Wu, L.J, Xu, F. | Deposit date: | 2023-08-16 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8. Sci Adv, 10, 2024
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8KFY
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![BU of 8kfy by Molmil](/molmil-images/mine/8kfy) | Gi bound CCR8 complex with nonpeptide agonist ZK 756326 | Descriptor: | 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Jiang, S, Lin, X, Wu, L.J, Xu, F. | Deposit date: | 2023-08-16 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8. Sci Adv, 10, 2024
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6WIY
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![BU of 6wiy by Molmil](/molmil-images/mine/6wiy) | Crystal structure of Fab 54-1G05 | Descriptor: | Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, GLYCEROL | Authors: | Wu, N.C, Wilson, I.A. | Deposit date: | 2020-04-11 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor. Cell Host Microbe, 28, 2020
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6VYH
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![BU of 6vyh by Molmil](/molmil-images/mine/6vyh) | Cryo-EM structure of SLC40/ferroportin in complex with Fab | Descriptor: | 11F9 heavy-chain, 11F9 light-chain, COBALT (II) ION, ... | Authors: | Shen, J, Ren, Z, Pan, Y, Gao, S, Yan, N, Zhou, M. | Deposit date: | 2020-02-26 | Release date: | 2020-11-11 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of ion transport and inhibition in ferroportin. Nat Commun, 11, 2020
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6X3R
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![BU of 6x3r by Molmil](/molmil-images/mine/6x3r) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-21 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X4P
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![BU of 6x4p by Molmil](/molmil-images/mine/6x4p) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6WIZ
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![BU of 6wiz by Molmil](/molmil-images/mine/6wiz) | Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, ... | Authors: | Wu, N.C, Wilson, I.A. | Deposit date: | 2020-04-11 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor. Cell Host Microbe, 28, 2020
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6X4M
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![BU of 6x4m by Molmil](/molmil-images/mine/6x4m) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate (compound 3) | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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3DD1
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![BU of 3dd1 by Molmil](/molmil-images/mine/3dd1) | Crystal structure of glycogen phophorylase complexed with an anthranilimide based inhibitor GSK254 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine, ... | Authors: | Nolte, R.T. | Deposit date: | 2008-06-04 | Release date: | 2009-04-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy. Bioorg.Med.Chem.Lett., 19, 2009
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2KIQ
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![BU of 2kiq by Molmil](/molmil-images/mine/2kiq) | Solution structure of the FF Domain 2 of human transcription elongation factor CA150 | Descriptor: | Transcription elongation regulator 1 | Authors: | Zeng, J, Boyles, J, Tripathy, C, Yan, A, Zhou, P, Donald, B.R. | Deposit date: | 2009-05-07 | Release date: | 2009-07-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High-resolution protein structure determination starting with a global fold calculated from exact solutions to the RDC equations. J.Biomol.Nmr, 45, 2009
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3RES
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![BU of 3res by Molmil](/molmil-images/mine/3res) | |
6KE4
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![BU of 6ke4 by Molmil](/molmil-images/mine/6ke4) | ABloop reengineered Ferritin Nanocage | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Wang, W.M, Wang, H.F. | Deposit date: | 2019-07-03 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | AB loop engineered ferritin nanocages for drug loading under benign experimental conditions. Chem.Commun.(Camb.), 55, 2019
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6KE2
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![BU of 6ke2 by Molmil](/molmil-images/mine/6ke2) | ABloop reengineered Ferritin Nanocage | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Wang, W.M, Wang, H.F. | Deposit date: | 2019-07-03 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | AB loop engineered ferritin nanocages for drug loading under benign experimental conditions. Chem.Commun.(Camb.), 55, 2019
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4JOL
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![BU of 4jol by Molmil](/molmil-images/mine/4jol) | |
4FWI
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![BU of 4fwi by Molmil](/molmil-images/mine/4fwi) | Crystal structure of the nucleotide-binding domain of a dipeptide ABC transporter | Descriptor: | ABC-type dipeptide/oligopeptide/nickel transport system, ATPase component, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Li, X, Ge, J, Yang, M, Wang, N. | Deposit date: | 2012-07-01 | Release date: | 2013-01-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.892 Å) | Cite: | Structure of the nucleotide-binding domain of a dipeptide ABC transporter reveals a novel iron-sulfur cluster-binding domain Acta Crystallogr.,Sect.D, 69, 2013
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6LRD
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![BU of 6lrd by Molmil](/molmil-images/mine/6lrd) | Structure of RecJ complexed with a 5'-P-dSpacer-modified ssDNA | Descriptor: | ASP-LEU-PRO-PHE, DNA (5'-D(P*(3DR)P*TP*TP*TP*TP*T)-3'), MANGANESE (II) ION, ... | Authors: | Cheng, K, Hua, Y. | Deposit date: | 2020-01-16 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.901335 Å) | Cite: | Participation of RecJ in the base excision repair pathway of Deinococcus radiodurans. Nucleic Acids Res., 48, 2020
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1XCA
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![BU of 1xca by Molmil](/molmil-images/mine/1xca) | APO-CELLULAR RETINOIC ACID BINDING PROTEIN II | Descriptor: | CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II | Authors: | Chen, X, Ji, X. | Deposit date: | 1996-12-31 | Release date: | 1998-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of apo-cellular retinoic acid-binding protein type II (R111M) suggests a mechanism of ligand entry. J.Mol.Biol., 278, 1998
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5J5S
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![BU of 5j5s by Molmil](/molmil-images/mine/5j5s) | Src kinase in complex with a sulfonamide inhibitor | Descriptor: | N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | Authors: | Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M. | Deposit date: | 2016-04-03 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors To Be Published
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