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6NDO
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BU of 6ndo by Molmil
Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP mutant L193N from Xanthomonas campestris
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome
Authors:Otero, L.H, Sirigu, S, Klinke, S, Rinaldi, J, Conforte, V, Malamud, F, Goldbaum, F.A, Chavas, L, Bonomi, H.R.
Deposit date:2018-12-14
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Pr-favoured variants of the bacteriophytochrome from the plant pathogen Xanthomonas campestris hint on light regulation of virulence-associated mechanisms.
Febs J., 288, 2021
7Q60
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BU of 7q60 by Molmil
Structure of TEV cleaved A2ML1 (A2ML1-TE)
Descriptor: Alpha-2-macroglobulin-like protein 1
Authors:Nielsen, N.S, Zarantonello, A, Andersen, G.R.
Deposit date:2021-11-05
Release date:2022-04-20
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
7Q62
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BU of 7q62 by Molmil
Structure of TEV cleaved A2ML1 dimer (A2ML1-TT dimer)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin-like protein 1
Authors:Nielsen, N.S, Zarantonello, A, Andersen, G.R.
Deposit date:2021-11-05
Release date:2022-04-20
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
7Q61
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BU of 7q61 by Molmil
Structure of TEV conjugated A2ML1 (A2ML1-TC)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin-like protein 1
Authors:Nielsen, N.S, Zarantonello, A, Andersen, G.R.
Deposit date:2021-11-05
Release date:2022-04-20
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
7Q5Z
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BU of 7q5z by Molmil
Cryo-EM structure of native human A2ML1
Descriptor: Alpha-2-macroglobulin-like protein 1
Authors:Zarantonello, A, Nielsen, N.S, Andersen, G.R.
Deposit date:2021-11-05
Release date:2022-04-20
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
1AJM
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BU of 1ajm by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
Descriptor: THYMIDYLATE SYNTHASE
Authors:Strop, P, Montfort, W.R.
Deposit date:1997-05-06
Release date:1997-11-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu.
Protein Sci., 6, 1997
5VIY
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BU of 5viy by Molmil
BG505 SOSIP.664 in complex with broadly neutralizing antibodies BG1 and 8ANC195
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 Fab heavy chain, ...
Authors:Wang, H, Bjorkman, P.J.
Deposit date:2017-04-17
Release date:2017-06-21
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Asymmetric recognition of HIV-1 Envelope trimer by V1V2 loop-targeting antibodies.
Elife, 6, 2017
5VJ6
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BU of 5vj6 by Molmil
BG505 SOSIP.664 in complex with broadly neutralizing antibodies PG9 and 8ANC195
Descriptor: 8ANC195 Fab heavy chain, 8ANC195 Fab light chain, Envelope glycoprotein gp160, ...
Authors:Wang, H, Bjorkman, P.J.
Deposit date:2017-04-18
Release date:2017-06-21
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (11.5 Å)
Cite:Asymmetric recognition of HIV-1 Envelope trimer by V1V2 loop-targeting antibodies.
Elife, 6, 2017
6HCR
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BU of 6hcr by Molmil
Synthetic Self-assembling ADDomer Platform for Highly Efficient Vaccination by Genetically-encoded Multi-epitope Display
Descriptor: Penton protein
Authors:Bufton, J.C, Berger, I, Schaffitzel, C, Garzoni, F, Rabi, F.A.
Deposit date:2018-08-16
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Synthetic self-assembling ADDomer platform for highly efficient vaccination by genetically encoded multiepitope display.
Sci Adv, 5, 2019
6AHE
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BU of 6ahe by Molmil
Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and AFN-1252
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Rani, S.T, Nataraj, V, Laxminarasimhan, A, Thomas, A, Krishnamurthy, N.
Deposit date:2018-08-17
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Ternary complex formation of AFN-1252 with Acinetobacter baumannii FabI and NADH: Crystallographic and biochemical studies.
Chem.Biol.Drug Des., 96, 2020
7X6K
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BU of 7x6k by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3w
Descriptor: 1H-indole-2-carbaldehyde, 3C-like proteinase
Authors:Su, H, Nie, T, Xie, H, Li, Z.W, Li, M.J, Xu, Y.
Deposit date:2022-03-07
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination.
J.Med.Chem., 65, 2022
7X6J
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BU of 7x6j by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3af
Descriptor: 3C-like proteinase, quinoline-2-carboxylic acid
Authors:Su, H, Nie, T, Xie, H, Li, Z.W, Li, M.J, Xu, Y.
Deposit date:2022-03-07
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination.
J.Med.Chem., 65, 2022
7UHY
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BU of 7uhy by Molmil
Human GATOR2 complex
Descriptor: GATOR complex protein MIOS, GATOR complex protein WDR24, GATOR complex protein WDR59, ...
Authors:Rogala, K.B, Valenstein, M.L, Lalgudi, P.V.
Deposit date:2022-03-27
Release date:2022-07-20
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structure of the nutrient-sensing hub GATOR2.
Nature, 607, 2022
5I2C
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BU of 5i2c by Molmil
Arginine-bound CASTOR1 from Homo sapiens
Descriptor: ACETATE ION, ARGININE, GATS-like protein 3
Authors:Saxton, R.A, Knockenhauer, K.E, Schwartz, T.U.
Deposit date:2016-02-08
Release date:2016-08-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Mechanism of arginine sensing by CASTOR1 upstream of mTORC1.
Nature, 536, 2016
4ZGM
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BU of 4zgm by Molmil
Crystal structure of Semaglutide peptide backbone in complex with the GLP-1 receptor extracellular domain
Descriptor: 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Glucagon-like peptide 1 receptor, Semaglutide peptide backbone; 8Aib,34R-GLP-1(7-37)-OH
Authors:Reedtz-Runge, S.
Deposit date:2015-04-23
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of the Once-Weekly Glucagon-Like Peptide-1 (GLP-1) Analogue Semaglutide.
J.Med.Chem., 58, 2015
1I1N
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BU of 1i1n by Molmil
HUMAN PROTEIN L-ISOASPARTATE O-METHYLTRANSFERASE WITH S-ADENOSYL HOMOCYSTEINE
Descriptor: PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Smith, C.D, Chattopadhyay, D, Carson, M, Friedman, A.M, Skinner, M.M.
Deposit date:2001-02-02
Release date:2002-03-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human L-isoaspartyl-O-methyl-transferase with S-adenosyl homocysteine at 1.6-A resolution and modeling of an isoaspartyl-containing peptide at the active site.
Protein Sci., 11, 2002
5T0N
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BU of 5t0n by Molmil
Pseudo-apo structure of Sestrin2 at 3.0 angstrom resolution
Descriptor: LEUCINE, Sestrin-2
Authors:Saxton, R.A, Knockenhauer, K.E, Schwartz, T.U.
Deposit date:2016-08-16
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:The apo-structure of the leucine sensor Sestrin2 is still elusive.
Sci.Signal., 9, 2016
2GJJ
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BU of 2gjj by Molmil
Crystal structure of a single chain antibody scA21 against Her2/ErbB2
Descriptor: A21 single-chain antibody fragment against erbB2, GLYCEROL
Authors:Zhu, Z.
Deposit date:2006-03-31
Release date:2006-10-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Epitope mapping and structural analysis of an anti-ErbB2 antibody A21: Molecular basis for tumor inhibitory mechanism
Proteins, 70, 2007
5II0
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BU of 5ii0 by Molmil
Crystal structure of the human calcitonin receptor ectodomain in complex with a truncated salmon calcitonin analogue
Descriptor: Calcitonin, Calcitonin receptor, SODIUM ION, ...
Authors:Johansson, E, Reedtz-Runge, S.
Deposit date:2016-03-01
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Type II Turn of Receptor-bound Salmon Calcitonin Revealed by X-ray Crystallography.
J.Biol.Chem., 291, 2016
5BPW
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BU of 5bpw by Molmil
Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain
Descriptor: Anaphase-promoting complex subunit 4
Authors:Kulkarni, K, Yang, J, Zhang, Z, Barford, D.
Deposit date:2015-05-28
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
6B38
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BU of 6b38 by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3G
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BU of 6b3g by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
7E18
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BU of 7e18 by Molmil
Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor YH-53
Descriptor: 1,2-ETHANEDIOL, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1ab
Authors:Senda, M, Konno, S, Hayashi, Y, Senda, T.
Deposit date:2021-02-01
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.
J.Med.Chem., 65, 2022
7E19
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BU of 7e19 by Molmil
Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor SH-5
Descriptor: (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate, 3C-like proteinase
Authors:Senda, M, Konno, S, Hayashi, Y, Senda, T.
Deposit date:2021-02-01
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.
J.Med.Chem., 65, 2022
6B36
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BU of 6b36 by Molmil
Crystal Structure of HIV Protease complexed with (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide, CHLORIDE ION, HIV-1 Protease
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017

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