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8AJP
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BU of 8ajp by Molmil
Crystal structure of Halogen methyl transferase from Paraburkholderia xenovorans at 1.8 A in complex with SAH
Descriptor: CHLORIDE ION, Halide methyl transferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Leisinger, F, Seebeck, F.P.
Deposit date:2022-07-28
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthetic Reagents for Enzyme-Catalyzed Methylation.
Angew.Chem.Int.Ed.Engl., 61, 2022
1AIN
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BU of 1ain by Molmil
CRYSTAL STRUCTURE OF HUMAN ANNEXIN I AT 2.5 ANGSTROMS RESOLUTION
Descriptor: ANNEXIN I, CALCIUM ION
Authors:Kim, S.-H.
Deposit date:1992-06-03
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human annexin I at 2.5 A resolution.
Protein Sci., 2, 1993
4GSF
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BU of 4gsf by Molmil
The structure analysis of cysteine free insulin degrading enzyme (ide) with (s)-2-{2-[carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3h-imidazol-4-yl)-propionic acid methyl ester
Descriptor: Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate
Authors:Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
Deposit date:2012-08-27
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme.
Eur.J.Med.Chem., 90, 2015
4X8S
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BU of 4x8s by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 4-BROMO-2-METHOXYPHENOL
Descriptor: 4-bromo-2-methoxyphenol, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4X8U
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BU of 4x8u by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID
Descriptor: 5-chloro-1H-indole-2-carboxylic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4X8V
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BU of 4x8v by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate)
Descriptor: CALCIUM ION, Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
6S3D
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BU of 6s3d by Molmil
Structure of D25 Fab in complex with scaffold S0_2.126
Descriptor: Heavy Chain, Light Chain, S0_2.126
Authors:Cramer, J.T, Krey, T.
Deposit date:2019-06-25
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
8Z8X
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BU of 8z8x by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription initiation conformation
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z90
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BU of 8z90 by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription initiation conformation 2
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z98
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BU of 8z98 by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription reception conformation
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z9R
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BU of 8z9r by Molmil
Cryo-EM structure of Thogoto virus polymerase in a replication elongation-reception conformation
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-23
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z8N
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BU of 8z8n by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 3
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z97
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BU of 8z97 by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription elongation conformation
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z9H
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BU of 8z9h by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription elongation-reception conformation
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-23
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z8J
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BU of 8z8j by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 2
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z85
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BU of 8z85 by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 1
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-21
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z9Q
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BU of 8z9q by Molmil
Cryo-EM structure of Thogoto virus polymerase in a replication reception conformation
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-23
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.33 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
3NKS
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BU of 3nks by Molmil
Structure of human protoporphyrinogen IX oxidase
Descriptor: 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Shen, Y.
Deposit date:2010-06-21
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insight into human variegate porphyria disease
Faseb J., 25, 2011
6M1K
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BU of 6m1k by Molmil
USP7 in complex with a novel inhibitor
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
Authors:Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A.
Deposit date:2020-02-26
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020
3I6D
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BU of 3i6d by Molmil
Crystal structure of PPO from bacillus subtilis with AF
Descriptor: 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ...
Authors:Shen, Y.
Deposit date:2009-07-06
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insight into unique properties of protoporphyrinogen oxidase from Bacillus subtilis
J.Struct.Biol., 170, 2010
8E5N
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BU of 8e5n by Molmil
Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 10
Descriptor: 1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, Arginase-1, MANGANESE (II) ION
Authors:Palte, R.L, Gathiaka, S.
Deposit date:2022-08-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.538 Å)
Cite:Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods.
Bioorg.Med.Chem.Lett., 84, 2023
8E5M
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BU of 8e5m by Molmil
Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 6
Descriptor: 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, Arginase-1, MANGANESE (II) ION
Authors:Palte, R.L, Gathiaka, S.
Deposit date:2022-08-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods.
Bioorg.Med.Chem.Lett., 84, 2023
6XWI
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BU of 6xwi by Molmil
Solution NMR structure of the S0_2.126 designed protein
Descriptor: S0_2.126
Authors:Abriata, L.A.
Deposit date:2020-01-23
Release date:2020-04-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
6XXV
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BU of 6xxv by Molmil
Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57
Descriptor: Antibody C57, Heavy Chain, Light Chain, ...
Authors:Yang, C, Sesterhenn, F, Correia, B.E, Pojer, F.
Deposit date:2020-01-28
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.20116425 Å)
Cite:De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
6YWC
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BU of 6ywc by Molmil
De novo designed protein 4E1H_95 in complex with 101F antibody
Descriptor: Antibody 101F, Heavy Chain, light chain, ...
Authors:Yang, C, Sesterhenn, F, Pojer, F, Correia, B.E.
Deposit date:2020-04-29
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Bottom-up de novo design of functional proteins with complex structural features.
Nat.Chem.Biol., 17, 2021

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