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5JIB
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BU of 5jib by Molmil
Crystal structure of the Thermotoga maritima acetyl esterase (TM0077) complex with a substrate analog
Descriptor: Cephalosporin-C deacetylase, [(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid
Authors:Manoj, N.
Deposit date:2016-04-22
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of Thermotoga maritima acetyl esterase complex with a substrate analog: Insights into the distinctive substrate specificity in the CE7 carbohydrate esterase family
Biochem. Biophys. Res. Commun., 476, 2016
7V2L
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BU of 7v2l by Molmil
T.thermophilus 30S ribosome with KsgA, class K1k2
Descriptor: 16s ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Raina, R, Singh, J, Anand, R, Vinothkumar, K.R.
Deposit date:2021-08-09
Release date:2022-04-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Decoding the Mechanism of Specific RNA Targeting by Ribosomal Methyltransferases.
Acs Chem.Biol., 17, 2022
7V2P
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BU of 7v2p by Molmil
T.thermophilus 30S ribosome with KsgA, class K5
Descriptor: 16s ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Raina, R, Singh, J, Anand, R, Vinothkumar, K.R.
Deposit date:2021-08-09
Release date:2022-04-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Decoding the Mechanism of Specific RNA Targeting by Ribosomal Methyltransferases.
Acs Chem.Biol., 17, 2022
8RF2
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BU of 8rf2 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 1E7 refined against the anomalous diffraction data
Descriptor: 1-benzothiophen-5-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
7K95
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BU of 7k95 by Molmil
Crystal structure of human CPSF30 in complex with hFip1
Descriptor: Isoform 2 of Cleavage and polyadenylation specificity factor subunit 4, Pre-mRNA 3'-end-processing factor FIP1, ZINC ION
Authors:Hamilton, K, Tong, L.
Deposit date:2020-09-28
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular mechanism for the interaction between human CPSF30 and hFip1.
Genes Dev., 34, 2020
7K4Z
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BU of 7k4z by Molmil
Crystal structure of Kemp Eliminase HG3.17 in complex with the transition state analog 6-nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, PENTAETHYLENE GLYCOL
Authors:Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
5JJL
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BU of 5jjl by Molmil
Rho transcription termination factor bound to rU8 and 5 ADP-BeF3 molecules
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Thomsen, N.D, Lawson, M.R, Witkowsky, L.B, Qu, S, Berger, J.M.
Deposit date:2016-04-24
Release date:2016-11-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular mechanisms of substrate-controlled ring dynamics and substepping in a nucleic acid-dependent hexameric motor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
3MP2
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BU of 3mp2 by Molmil
Crystal structure of transmissible gastroenteritis virus papain-like protease 1
Descriptor: Non-structural protein 3, ZINC ION
Authors:Wojdyla, J.A, Manolaridis, I, Tucker, P.A.
Deposit date:2010-04-24
Release date:2010-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Papain-Like Protease 1 from Transmissible Gastroenteritis Virus: Crystal Structure and Enzymatic Activity toward Viral and Cellular Substrates.
J.Virol., 84, 2010
8RFC
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BU of 8rfc by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL1 refined against the anomalous diffraction data
Descriptor: (1~{R})-1-(4-bromophenyl)ethanamine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RGL
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BU of 8rgl by Molmil
Structure of Human Serum Albumin in complex with Aristolochic Acid I at 1.9 A resolution - Optimized
Descriptor: 1,2-ETHANEDIOL, 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, MYRISTIC ACID, ...
Authors:Pomyalov, S, Sidorenko, V.S, Grollman, A.P, Shoham, G.
Deposit date:2023-12-13
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin.
J.Biol.Chem., 300, 2024
5JIG
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BU of 5jig by Molmil
Crytsal structure of Wss1 from S. pombe
Descriptor: NICKEL (II) ION, OXYGEN MOLECULE, Ubiquitin and WLM domain-containing metalloprotease SPCC1442.07c
Authors:Groll, M, Stingele, J, Boulton, S.
Deposit date:2016-04-22
Release date:2016-11-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Mechanism and Regulation of DNA-Protein Crosslink Repair by the DNA-Dependent Metalloprotease SPRTN.
Mol.Cell, 64, 2016
3MSD
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BU of 3msd by Molmil
Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
Descriptor: ACETATE ION, GLYCEROL, Intra-cellular xylanase ixt6, ...
Authors:Solomon, V, Zolotnitsky, G, Alhadeff, R, Shoham, Y, Shoham, G.
Deposit date:2010-04-29
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
TO BE PUBLISHED
8RFD
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BU of 8rfd by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL2 refined against the anomalous diffraction data
Descriptor: (1~{R})-1-(4-iodophenyl)ethanamine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
3M0M
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BU of 3m0m by Molmil
Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant S329F in complex with D-allose
Descriptor: D-ALLOSE, L-rhamnose isomerase, MANGANESE (II) ION
Authors:Yoshida, H, Takeda, K, Izumori, K, Kamitori, S.
Deposit date:2010-03-03
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Elucidation of the role of Ser329 and the C-terminal region in the catalytic activity of Pseudomonas stutzeri L-rhamnose isomerase
Protein Eng.Des.Sel., 23, 2010
8RGK
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BU of 8rgk by Molmil
Structure of Human Serum Albumin in complex with Aristolochic Acid at 1.9 A resolution
Descriptor: 1,2-ETHANEDIOL, 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, MYRISTIC ACID, ...
Authors:Pomyalov, S, Sidorenko, V.S, Grollman, A.P, Shoham, G.
Deposit date:2023-12-13
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin.
J.Biol.Chem., 300, 2024
8RF6
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BU of 8rf6 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL5 refined against the anomalous diffraction data
Descriptor: 6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
4ZJL
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BU of 4zjl by Molmil
Crystal structure of AcrB in complex with antibiotic in P21 space group
Descriptor: DODECYL-BETA-D-MALTOSIDE, ERYTHROMYCIN A, Multidrug efflux pump subunit AcrB, ...
Authors:Ababou, A, Koronakis, V.
Deposit date:2015-04-29
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Structures of Gate Loop Variants of the AcrB Drug Efflux Pump Bound by Erythromycin Substrate.
Plos One, 11, 2016
1Z7C
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BU of 1z7c by Molmil
Crystal Structure of Human Placental Lactogen
Descriptor: Chorionic somatomammotropin hormone
Authors:Walsh, S.T.R, Kossiakoff, A.A.
Deposit date:2005-03-24
Release date:2006-03-07
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure and Site 1 Binding Energetics of Human Placental Lactogen.
J.Mol.Biol., 358, 2006
7JPV
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BU of 7jpv by Molmil
Rabbit Cav1.1 in the presence of 1 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4 Angstrom resolution
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, ...
Authors:Yan, N, Gao, S.
Deposit date:2020-08-10
Release date:2020-11-18
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7UNN
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BU of 7unn by Molmil
Thiol-disulfide oxidoreductase TsdA from Corynebacterium diphtheriae
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin domain-containing protein
Authors:Osipiuk, J, Reardon-Robinson, M, Nguyen, M.T, Sanchez, B, Ton-That, H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-04-11
Release date:2022-04-20
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A cryptic oxidoreductase safeguards oxidative protein folding in Corynebacterium diphtheriae.
Proc.Natl.Acad.Sci.USA, 120, 2023
8RF5
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BU of 8rf5 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7 refined against the anomalous diffraction data
Descriptor: 6-fluoro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
7JRG
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BU of 7jrg by Molmil
Plant Mitochondrial complex III2 from Vigna radiata
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Alpha-MPP, ...
Authors:Maldonado, M, Letts, J.A.
Deposit date:2020-08-12
Release date:2021-01-20
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Atomic structures of respiratory complex III 2 , complex IV, and supercomplex III 2 -IV from vascular plants.
Elife, 10, 2021
4ZLN
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BU of 4zln by Molmil
Crystal structure of transporter AcrB deletion mutant
Descriptor: Multidrug efflux pump subunit AcrB
Authors:Ababou, A, Koronakis, V.
Deposit date:2015-05-01
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.557 Å)
Cite:Crystal structure of transporter AcrB deletion mutant
To Be Published
7JX9
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BU of 7jx9 by Molmil
The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid.
Descriptor: (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine, Ornithine aminotransferase, ...
Authors:Butrin, A, Beaupre, B, Shen, S, Silverman, R.B, Moran, G, Liu, D.
Deposit date:2020-08-26
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ).
Acs Chem.Biol., 16, 2021
8RF3
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BU of 8rf3 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7G3 refined against the anomalous diffraction data
Descriptor: 2-(1-benzothiophen-3-yl)ethanoic acid, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024

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