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4FSE
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BU of 4fse by Molmil
crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with N-(N-(4-amino-3,5- dichlorobenzyl)carbamimidoyl)-3-(4-methoxyphenyl)-5- methyl-4-isothiazolecarboxamide
Descriptor: Beta-secretase 1, IODIDE ION, N-[N-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
Authors:Muckelbauer, J.K.
Deposit date:2012-06-27
Release date:2012-10-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Acyl guanidine inhibitors of beta-secretase (BACE-1): optimization of a micromolar hit to a nanomolar lead via iterative solid- and solution-phase library synthesis
J.Med.Chem., 55, 2012
3QSM
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BU of 3qsm by Molmil
Crystal structure for the MSOX.chloride binary complex
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric sarcosine oxidase
Authors:Kommoju, P, Chen, Z, Bruckner, R.C, Mathews, F.S, Jorns, M.S.
Deposit date:2011-02-21
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing oxygen activation sites in two flavoprotein oxidases using chloride as an oxygen surrogate.
Biochemistry, 50, 2011
7KD2
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BU of 7kd2 by Molmil
Ricin bound to VHH antibody V11B2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Ricin chain A, ...
Authors:Rudolph, M.J.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
7KDU
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BU of 7kdu by Molmil
Ricin bound to VHH antibody V5E4
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ricin chain A, ...
Authors:Rudolph, M.J.
Deposit date:2020-10-09
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.809 Å)
Cite:Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
7KBK
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BU of 7kbk by Molmil
Ricin bound to VHH antibody V6E11
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Ricin, ...
Authors:Rudolph, M.J.
Deposit date:2020-10-02
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
7KDM
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BU of 7kdm by Molmil
Ricin bound to VHH antibody V5G6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-RON nanobody, CHLORIDE ION, ...
Authors:Rudolph, M.J.
Deposit date:2020-10-08
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
7KC9
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BU of 7kc9 by Molmil
Ricin bound to VHH antibody V5G1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Ricin chain A, ...
Authors:Rudolph, M.J.
Deposit date:2020-10-05
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
4FWU
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BU of 4fwu by Molmil
Crystal structure of glutaminyl cyclase from drosophila melanogaster in space group I4
Descriptor: 1,2-ETHANEDIOL, CG32412, SULFATE ION, ...
Authors:Kolenko, P, Koch, B, Stubbs, M.T.
Deposit date:2012-07-02
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of glutaminyl cyclase from Drosophila melanogaster in space group I4.
Acta Crystallogr.,Sect.F, 69, 2013
7KBI
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BU of 7kbi by Molmil
Ricin bound to VHH antibody V5E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Ricin chain A, ...
Authors:Rudolph, M.J.
Deposit date:2020-10-02
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.049 Å)
Cite:Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
7KD0
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BU of 7kd0 by Molmil
Ricin bound to VHH antibody V2C11
Descriptor: 1,2-ETHANEDIOL, Anti-RON nanobody, CHLORIDE ION, ...
Authors:Rudolph, M.J.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.768 Å)
Cite:Structural Analysis of Toxin-Neutralizing, Single-Domain Antibodies that Bridge Ricin's A-B Subunit Interface.
J.Mol.Biol., 433, 2021
3MH8
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BU of 3mh8 by Molmil
Crystal structure of LprG from Mycobacterium tuberculosis
Descriptor: Lipoprotein lprG
Authors:Tsai, H.-C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-04-07
Release date:2010-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Mycobacterium tuberculosis lipoprotein LprG (Rv1411c) binds triacylated glycolipid agonists of Toll-like receptor 2.
Nat.Struct.Mol.Biol., 17, 2010
4RR9
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BU of 4rr9 by Molmil
N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Ser3AA (snapshot 4)
Descriptor: MAGNESIUM ION, Probable threonine--tRNA ligase 2, SERINE-3'-AMINOADENOSINE
Authors:Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
6Q6G
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BU of 6q6g by Molmil
Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D1 box class
Descriptor: Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Zhang, S, Barford, D.
Deposit date:2018-12-11
Release date:2019-09-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cyclin A2 degradation during the spindle assembly checkpoint requires multiple binding modes to the APC/C.
Nat Commun, 10, 2019
4RRL
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BU of 4rrl by Molmil
E129A mutant of N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Ser3AA
Descriptor: Probable threonine--tRNA ligase 2, SERINE-3'-AMINOADENOSINE
Authors:Ahmad, S, Yerabham, A.S.K, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.965 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
2C5Y
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BU of 2c5y by Molmil
DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN
Descriptor: CELL DIVISION PROTEIN KINASE 2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
Authors:Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2005-11-03
Release date:2006-03-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
3D7O
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BU of 3d7o by Molmil
Human hemoglobin, nitrogen dioxide anion modified
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
Authors:Yi, J, Safo, M.K, Richter-Addo, G.B.
Deposit date:2008-05-21
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The nitrite anion binds to human hemoglobin via the uncommon O-nitrito mode.
Biochemistry, 47, 2008
4FSL
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BU of 4fsl by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-DB-MUT) complex with N-(N-(4- acetamido-3-chloro-5-methylbenzyl)carbamimidoyl)-3-(4- methoxyphenyl)-5-methyl-4-isothiazolecarboxamide
Descriptor: Beta-secretase 1, IODIDE ION, N-{N-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
Authors:Muckelbauer, J.K.
Deposit date:2012-06-27
Release date:2012-10-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Acyl Guanidine Inhibitors of beta-Secretase (BACE-1): Optimization of a Micromolar Hit to a Nanomolar Lead via Iterative Solid- and Solution-Phase Library Synthesis
J.Med.Chem., 55, 2012
7ZH9
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BU of 7zh9 by Molmil
Uba1 in complex with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Misra, M, Schindelin, H.
Deposit date:2022-04-05
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structures of UBA6 explain its dual specificity for ubiquitin and FAT10.
Nat Commun, 13, 2022
4RRD
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BU of 4rrd by Molmil
N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA (snapshot 4)
Descriptor: 3'-deoxy-3'-(L-threonylamino)adenosine, MAGNESIUM ION, Probable threonine--tRNA ligase 2
Authors:Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
4RRR
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BU of 4rrr by Molmil
K121M mutant of N-terminal editing domain of threonyl-tRNA synthetase from Pyrococcus abyssi with L-Thr3AA
Descriptor: 3'-deoxy-3'-(L-threonylamino)adenosine, Threonine--tRNA ligase
Authors:Hussain, T, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
5AJ0
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BU of 5aj0 by Molmil
Cryo electron microscopy of actively translating human polysomes (POST state).
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Behrmann, E, Loerke, J, Budkevich, T.V, Yamamoto, K, Schmidt, A, Penczek, P.A, Vos, M.R, Burger, J, Mielke, T, Scheerer, P, Spahn, C.M.T.
Deposit date:2015-02-19
Release date:2015-05-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural Snapshots of Actively Translating Human Ribosomes
Cell(Cambridge,Mass.), 161, 2015
1DV2
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BU of 1dv2 by Molmil
The structure of biotin carboxylase, mutant E288K, complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, BIOTIN CARBOXYLASE
Authors:Thoden, J.B, Blanchard, C.Z, Holden, H.M, Waldrop, G.L.
Deposit date:2000-01-19
Release date:2000-06-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Movement of the biotin carboxylase B-domain as a result of ATP binding.
J.Biol.Chem., 275, 2000
3TDU
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BU of 3tdu by Molmil
N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex: Structure of a human Cul1WHB-Dcn1P-acetylated Ubc12N complex
Descriptor: Cullin-1, DCN1-like protein 1, NEDD8-conjugating enzyme Ubc12
Authors:Scott, D.C, Monda, J.K, Bennett, E.J, Harper, J.W, Schulman, B.A.
Deposit date:2011-08-11
Release date:2011-10-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex.
Science, 334, 2011
6FIT
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BU of 6fit by Molmil
FHIT-TRANSITION STATE ANALOG
Descriptor: ADENOSINE MONOTUNGSTATE, FRAGILE HISTIDINE TRIAD PROTEIN
Authors:Lima, C.D, Klein, M.G, Hendrickson, W.A.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
6Q6H
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BU of 6q6h by Molmil
Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D2 box class
Descriptor: Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, Anaphase-promoting complex subunit 13, ...
Authors:Zhang, S, Barford, D.
Deposit date:2018-12-11
Release date:2019-09-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cyclin A2 degradation during the spindle assembly checkpoint requires multiple binding modes to the APC/C.
Nat Commun, 10, 2019

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