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9CID
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BU of 9cid by Molmil
Solution NMR structure of apo I89, a dynamic engineered calcium-binding protein (state 2)
Descriptor: Dynamic engineered calcium-binding protein I89
Authors:Guo, A.B, Kelly, M.J.S, Kortemme, T.
Deposit date:2024-07-03
Release date:2025-05-21
Last modified:2025-06-18
Method:SOLUTION NMR
Cite:Deep learning-guided design of dynamic proteins.
Science, 388, 2025
9CIF
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BU of 9cif by Molmil
Solution NMR structure of a single-state de novo alternative conformation (design 6306) of the N-terminal domain of chicken troponin C (E41A mutant)
Descriptor: De novo designed troponin C 6306
Authors:Guo, A.B, Kelly, M.J.S, Kortemme, T.
Deposit date:2024-07-03
Release date:2025-05-21
Last modified:2025-06-18
Method:SOLUTION NMR
Cite:Deep learning-guided design of dynamic proteins.
Science, 388, 2025
9CIC
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BU of 9cic by Molmil
Solution NMR structure of calcium-bound I89, a dynamic engineered protein
Descriptor: CALCIUM ION, Dynamic engineered calcium-binding protein I89
Authors:Guo, A.B, Kelly, M.J.S, Kortemme, T.
Deposit date:2024-07-03
Release date:2025-05-21
Last modified:2025-06-18
Method:SOLUTION NMR
Cite:Deep learning-guided design of dynamic proteins.
Science, 388, 2025
9CIE
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BU of 9cie by Molmil
Solution NMR structure of S89, a dynamic engineered calcium-binding protein
Descriptor: Dynamic engineered calcium-binding protein S89
Authors:Guo, A.B, Kortemme, T, Kelly, M.J.S.
Deposit date:2024-07-03
Release date:2025-05-21
Last modified:2025-06-18
Method:SOLUTION NMR
Cite:Deep learning-guided design of dynamic proteins.
Science, 388, 2025
9CIG
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BU of 9cig by Molmil
Solution NMR structure of apo I89, a dynamic engineered calcium-binding protein (state 1)
Descriptor: Dynamic engineered calcium-binding protein I89
Authors:Guo, A.B, Kelly, M.J.S, Kortemme, T.
Deposit date:2024-07-03
Release date:2025-05-21
Last modified:2025-06-18
Method:SOLUTION NMR
Cite:Deep learning-guided design of dynamic proteins.
Science, 388, 2025
7OP0
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BU of 7op0 by Molmil
Crystal structure of complement C5 in complex with chemically synthesized K92 knob domain.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, ...
Authors:Macpherson, A, van der Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
Deposit date:2021-05-28
Release date:2022-04-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The Chemical Synthesis of Knob Domain Antibody Fragments.
Acs Chem.Biol., 16, 2021
2AXM
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BU of 2axm by Molmil
HEPARIN-LINKED BIOLOGICALLY-ACTIVE DIMER OF FIBROBLAST GROWTH FACTOR
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR
Authors:Digabriele, A.D, Lax, I, Chen, D.I, Svahn, C.M, Jaye, M, Schlessinger, J, Hendrickson, W.A.
Deposit date:1997-10-20
Release date:1998-04-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of a heparin-linked biologically active dimer of fibroblast growth factor.
Nature, 393, 1998
7JH6
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BU of 7jh6 by Molmil
De novo designed two-domain di-Zn(II) and porphyrin-binding protein
Descriptor: NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ...
Authors:Schmidt, N, Liu, L, DeGrado, W.F.
Deposit date:2020-07-20
Release date:2020-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Allosteric cooperation in a de novo-designed two-domain protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
3QUG
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BU of 3qug by Molmil
Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin
Descriptor: GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING GA, ...
Authors:Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2011-02-24
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus.
Biochemistry, 50, 2011
3QUH
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BU of 3quh by Molmil
Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Manganese(III)-porphyrin
Descriptor: GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING MN
Authors:Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2011-02-24
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus.
Biochemistry, 50, 2011
5KZV
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BU of 5kzv by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with 20(S)-hydroxycholesterol
Descriptor: (3alpha,8alpha)-cholest-5-ene-3,20-diol, Smoothened
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.616 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
5KZY
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BU of 5kzy by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with cyclopamine
Descriptor: Cyclopamine, Smoothened
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.484 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
5KZZ
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BU of 5kzz by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in its apo-form
Descriptor: ACETATE ION, GLYCEROL, Smoothened, ...
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
3G2D
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BU of 3g2d by Molmil
Complex of Mth0212 and a 4 bp dsDNA with 3'-overhang
Descriptor: 5'-D(*CP*CP*TP*GP*UP*GP*CP*GP*AP*T)-3', 5'-D(*CP*GP*CP*G*CP*AP*GP*GP*C)-3', Exodeoxyribonuclease, ...
Authors:Lakomek, K, Dickmanns, A, Ficner, R.
Deposit date:2009-01-31
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure Analysis of DNA Uridine Endonuclease Mth212 Bound to DNA
J.Mol.Biol., 399, 2010
3G00
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BU of 3g00 by Molmil
Mth0212 in complex with a 9bp blunt end dsDNA at 1.7 Angstrom
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-D(*CP*GP*TP*AP*TP*TP*AP*CP*G)-3', 5'-D(*CP*GP*TP*AP*UP*TP*AP*CP*G)-3', ...
Authors:Lakomek, K, Dickmanns, A, Ficner, R.
Deposit date:2009-01-27
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure Analysis of DNA Uridine Endonuclease Mth212 Bound to DNA
J.Mol.Biol., 399, 2010
7AD6
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BU of 7ad6 by Molmil
Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide.
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ...
Authors:Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
Deposit date:2020-09-14
Release date:2021-03-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
7AD7
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BU of 7ad7 by Molmil
Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
Deposit date:2020-09-14
Release date:2021-03-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
4WYB
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BU of 4wyb by Molmil
Structure of the Bud6 flank domain in complex with actin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Eck, M.J, Park, E, Zheng, W.
Deposit date:2014-11-17
Release date:2015-08-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.493 Å)
Cite:Structure of a Bud6/Actin Complex Reveals a Novel WH2-like Actin Monomer Recruitment Motif.
Structure, 23, 2015
5B5K
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BU of 5b5k by Molmil
Crystal structure of Izumo1, the mammalian sperm ligand for egg Juno
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Izumo sperm-egg fusion protein 1
Authors:Nishimura, K, Han, L, De Sanctis, D, Jovine, L.
Deposit date:2016-05-11
Release date:2016-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of sperm Izumo1 reveals unexpected similarities with Plasmodium invasion proteins.
Curr.Biol., 26, 2016
5XUQ
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BU of 5xuq by Molmil
Crystal structure of VDR-LBD complexed with an antagonist, 2-methylidene-19,26,27-trinor-22-(S)-butyl-1-hydroxy-25-oxo-25-(1H-pyrrol-2-yl)- vitamin D3
Descriptor: (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Kato, A, Itoh, T, Yamamoto, K.
Deposit date:2017-06-24
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Potent Vitamin D Receptor Antagonist
To Be Published
5GZ6
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BU of 5gz6 by Molmil
Structure of D-amino acid dehydrogenase in complex with NADPH and 2-keto-6-aminocapronic acid
Descriptor: 6-azanyl-2-oxidanylidene-hexanoic acid, ACETATE ION, Meso-diaminopimelate D-dehydrogenase, ...
Authors:Sakuraba, H, Seto, T, Hayashi, J, Akita, H, Yoneda, K, Ohshima, T.
Deposit date:2016-09-26
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure-Based Engineering of an Artificially Generated NADP+-Dependent d-Amino Acid Dehydrogenase
Appl. Environ. Microbiol., 83, 2017
5GZ3
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BU of 5gz3 by Molmil
Structure of D-amino acid dehydrogenase in complex with NADP
Descriptor: 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sakuraba, H, Seto, T, Hayashi, J, Akita, H, Yoneda, K, Ohshima, T.
Deposit date:2016-09-26
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure-Based Engineering of an Artificially Generated NADP+-Dependent d-Amino Acid Dehydrogenase
Appl. Environ. Microbiol., 83, 2017
2WG6
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BU of 2wg6 by Molmil
Proteasome-Activating Nucleotidase (PAN) N-domain (57-134) from Archaeoglobus fulgidus fused to GCN4, P61A Mutant
Descriptor: GENERAL CONTROL PROTEIN GCN4, PROTEASOME-ACTIVATING NUCLEOTIDASE
Authors:Hartmann, M.D, Djuranovic, S, Ursinus, A, Zeth, K, Lupas, A.N.
Deposit date:2009-04-15
Release date:2009-04-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Activity of the N-Terminal Substrate Recognition Domains in Proteasomal Atpases.
Mol.Cell, 34, 2009
5GZ1
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BU of 5gz1 by Molmil
Structure of substrate/cofactor-free D-amino acid dehydrogenase
Descriptor: Meso-diaminopimelate D-dehydrogenase
Authors:Sakuraba, H, Seto, T, Hayashi, J, Akita, H, Yoneda, K, Ohshima, T.
Deposit date:2016-09-26
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Based Engineering of an Artificially Generated NADP+-Dependent d-Amino Acid Dehydrogenase
Appl. Environ. Microbiol., 83, 2017
7YXP
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BU of 7yxp by Molmil
Crystal structure of WT AncGR2-LBD WT bound to dexamethasone and SHP coregulator fragment
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-16
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022

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