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4M2Q
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BU of 4m2q by Molmil
Crystal structure of non-myristoylated recoverin with Cysteine-39 oxidized to sulfenic acid
Descriptor: CALCIUM ION, Recoverin
Authors:Prem Kumar, R, Chakrabarti, K, Kern, D, Oprian, D.D.
Deposit date:2013-08-05
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
6EXY
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BU of 6exy by Molmil
Neutron crystal structure of perdeuterated galectin-3C in complex with glycerol
Descriptor: GLYCEROL, Galectin-3
Authors:Manzoni, F, Schrader, T.E, Ostermann, A, Oksanen, E, Logan, D.T.
Deposit date:2017-11-10
Release date:2018-09-12
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION
Cite:Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
4M2O
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BU of 4m2o by Molmil
Crystal structure of a non-myristoylated C39A recoverin mutant with one calcium ion bound to EF-hand 3
Descriptor: CALCIUM ION, Recoverin
Authors:Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
Deposit date:2013-08-05
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
4M2P
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BU of 4m2p by Molmil
Crystal structure of a non-myristoylated C39D recoverin mutant with one calcium ion bound to EF-hand 3
Descriptor: CALCIUM ION, Recoverin
Authors:Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
Deposit date:2013-08-05
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
5JPV
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BU of 5jpv by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactoseamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
7QGV
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BU of 7qgv by Molmil
Solid-state NMR structure of Teixobactin-Lipid II.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, 3-methylbut-2-en-1-ol, Lipid II, ...
Authors:Weingarth, M.H, Shukla, R.
Deposit date:2021-12-10
Release date:2022-08-03
Last modified:2023-11-15
Method:SOLID-STATE NMR
Cite:Teixobactin kills bacteria by a two-pronged attack on the cell envelope.
Nature, 608, 2022
8BJ5
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BU of 8bj5 by Molmil
Imine Reductase IR007 from Amycolatopsis azurea
Descriptor: Imine Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gilio, A.K, Steflik, J, Grogan, G.
Deposit date:2022-11-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Engineering of a Reductive Aminase to Enable the Synthesis of a Key Intermediate to a CDK 2/4/6 Inhibitor
Acs Catalysis, 13, 2023
8BK1
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BU of 8bk1 by Molmil
Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, M206S, A213P, D238G, I240L
Descriptor: Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, ...
Authors:Gilio, A.K, Grogan, G.J.
Deposit date:2022-11-08
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Engineering of a Reductive Aminase to Enable the Synthesis of a Key Intermediate to a CDK 2/4/6 Inhibitor
Acs Catalysis, 13, 2023
8BT3
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BU of 8bt3 by Molmil
Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, catalytically active radical state solved by XFEL
Descriptor: Ribonucleoside-diphosphate reductase beta chain
Authors:Lebrette, H, Srinivas, V, Hogbom, M.
Deposit date:2022-11-27
Release date:2023-11-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a ribonucleotide reductase R2 protein radical.
Science, 382, 2023
8BT4
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BU of 8bt4 by Molmil
Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, radical-lost ground state
Descriptor: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase
Authors:Lebrette, H, Srinivas, V, Hogbom, M.
Deposit date:2022-11-27
Release date:2023-11-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of a ribonucleotide reductase R2 protein radical.
Science, 382, 2023
5UV2
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BU of 5uv2 by Molmil
Crystal Structure of (+)-Limonene Synthase Complexed with 2-Fluoroneryl Diphosphate
Descriptor: (+)-limonene synthase, (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, MANGANESE (II) ION
Authors:Prem Kumar, R, Malik, K, Oprian, D.D.
Deposit date:2017-02-17
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Characterization of Early Michaelis Complexes in the Reaction Catalyzed by (+)-Limonene Synthase from Citrus sinensis Using Fluorinated Substrate Analogues.
Biochemistry, 56, 2017
5UV0
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BU of 5uv0 by Molmil
Crystal Structure of (+)-Limonene Synthase from Citrus sinensis
Descriptor: (+)-limonene synthase
Authors:Prem Kumar, R, Oprian, D.D.
Deposit date:2017-02-17
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional and Structural Characterization of a (+)-Limonene Synthase from Citrus sinensis.
Biochemistry, 56, 2017
5UV1
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BU of 5uv1 by Molmil
Crystal Structure of (+)-Limonene Synthase Complexed with 2-Fluorogeranyl Diphosphate
Descriptor: (+)-limonene synthase, (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, MANGANESE (II) ION
Authors:Prem Kumar, R, Malik, K, Oprian, D.D.
Deposit date:2017-02-17
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Characterization of Early Michaelis Complexes in the Reaction Catalyzed by (+)-Limonene Synthase from Citrus sinensis Using Fluorinated Substrate Analogues.
Biochemistry, 56, 2017
5VYD
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BU of 5vyd by Molmil
Crystal structure of phosphodiesterase domain of RhoPDE fusion protein from the Choanoflagellate Salpingoeca rosetta
Descriptor: MAGNESIUM ION, Phosphodiesterase, ZINC ION
Authors:Prem Kumar, R, Lamarche, L.B, Oprian, D.D.
Deposit date:2017-05-25
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Purification and Characterization of RhoPDE, a Retinylidene/Phosphodiesterase Fusion Protein and Potential Optogenetic Tool from the Choanoflagellate Salpingoeca rosetta.
Biochemistry, 56, 2017
5OJL
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BU of 5ojl by Molmil
Imine Reductase from Aspergillus terreus in complex with NADPH4 and dibenz[c,e]azepine
Descriptor: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, 5-methyl-7~{H}-benzo[d][2]benzazepine, Imine reductase
Authors:Sharma, M, Grogan, G.
Deposit date:2017-07-21
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Biocatalytic Routes to Enantiomerically Enriched Dibenz[c,e]azepines.
Angew. Chem. Int. Ed. Engl., 56, 2017
6FYX
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BU of 6fyx by Molmil
Structure of a partial yeast 48S preinitiation complex with eIF5 N-terminal domain (model C1)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S0, 40S ribosomal protein S1, ...
Authors:Llacer, J.L, Hussain, T, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2018-03-12
Release date:2018-12-05
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Translational initiation factor eIF5 replaces eIF1 on the 40S ribosomal subunit to promote start-codon recognition.
Elife, 7, 2018
4MLW
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BU of 4mlw by Molmil
Crystal structure of non-myristoylated recoverin at 1.45 A resolution with calcium bound to EF-hand 3
Descriptor: CALCIUM ION, Recoverin
Authors:Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
Deposit date:2013-09-06
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A highly conserved cysteine of neuronal calcium-sensing proteins controls cooperative binding of Ca2+ to recoverin.
J.Biol.Chem., 288, 2013
6FYY
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BU of 6fyy by Molmil
Structure of a partial yeast 48S preinitiation complex with eIF5 N-terminal domain (model C2)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S0, 40S ribosomal protein S1, ...
Authors:Llacer, J.L, Hussain, T, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2018-03-12
Release date:2018-12-05
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Translational initiation factor eIF5 replaces eIF1 on the 40S ribosomal subunit to promote start-codon recognition.
Elife, 7, 2018
7A3W
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BU of 7a3w by Molmil
Structure of Imine Reductase from Pseudomonas sp.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NAD(P)-dependent oxidoreductase, ...
Authors:Cuetos, A, Thorpe, T, Turner, N.J, Grogan, G.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Multifunctional biocatalyst for conjugate reduction and reductive amination.
Nature, 604, 2022
5IM3
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BU of 5im3 by Molmil
Crystal structure of the class I ribonucleotide reductase from Pseudomonas aeruginosa in complex with dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase
Authors:Johansson, R, Logan, D.T.
Deposit date:2016-03-05
Release date:2016-05-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structural Mechanism of Allosteric Activity Regulation in a Ribonucleotide Reductase with Double ATP Cones.
Structure, 24, 2016
6MAC
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BU of 6mac by Molmil
Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 11, ...
Authors:Goebel, E.J, Thompson, T.B.
Deposit date:2018-08-27
Release date:2019-07-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural characterization of an activin class ternary receptor complex reveals a third paradigm for receptor specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
8WES
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BU of 8wes by Molmil
Carbonic Anhydrase II T200V variant 5 atm CO2 pressure (pH 7.8)
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, ZINC ION
Authors:Kim, C.U, Kim, J.K.
Deposit date:2023-09-18
Release date:2024-09-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Fast product release requires active-site water dynamics in carbonic anhydrase.
Nat Commun, 16, 2025
8WER
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BU of 8wer by Molmil
Carbonic Anhydrase II T200V variant 0 atm CO2 pressure (pH 7.8)
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Kim, C.U, Kim, J.K.
Deposit date:2023-09-18
Release date:2024-09-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Fast product release requires active-site water dynamics in carbonic anhydrase.
Nat Commun, 16, 2025
8WEP
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BU of 8wep by Molmil
Zn-Carbonic Anhydrase II 5 atm of CO2 pressure (pH 7.8)
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Kim, J.K.
Deposit date:2023-09-18
Release date:2024-09-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Fast product release requires active-site water dynamics in carbonic anhydrase.
Nat Commun, 16, 2025
7Y2M
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BU of 7y2m by Molmil
apo-Carbonic Anhydrase II soaked in 3NPA after UV at 140 K
Descriptor: Carbonic anhydrase 2
Authors:Kim, C.U, Kim, J.K.
Deposit date:2022-06-09
Release date:2023-12-20
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Fast product release requires active-site water dynamics in carbonic anhydrase.
Nat Commun, 16, 2025

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