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5IBQ
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BU of 5ibq by Molmil
Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose
Descriptor: 3-C-(hydroxylmethyl)-alpha-D-erythrofuranose, CALCIUM ION, Probable ribose ABC transporter, ...
Authors:Vetting, M.W, Carter, M.S, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2016-02-22
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose
To be published
2BKS
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BU of 2bks by Molmil
crystal structure of Renin-PF00074777 complex
Descriptor: (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin
Authors:Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E.
Deposit date:2005-02-18
Release date:2006-04-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
4W90
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BU of 4w90 by Molmil
Crystal structure of Bacillus subtilis cyclic-di-AMP riboswitch ydaO
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A, ...
Authors:Jones, C.P, Ferre-D'Amare, A.R.
Deposit date:2014-08-26
Release date:2014-10-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.118 Å)
Cite:Crystal structure of a c-di-AMP riboswitch reveals an internally pseudo-dimeric RNA.
Embo J., 33, 2014
4UWU
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BU of 4uwu by Molmil
Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 7)
Descriptor: CARBON MONOXIDE, CHLORIDE ION, FORMIC ACID, ...
Authors:Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T.
Deposit date:2014-08-14
Release date:2014-12-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
6ZS1
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BU of 6zs1 by Molmil
Chaetomium thermophilum CuZn-superoxide dismutase
Descriptor: COPPER (II) ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Papageorgiou, A.C, Mohsin, I.
Deposit date:2020-07-15
Release date:2021-04-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of a Cu,Zn Superoxide Dismutase From the Thermophilic Fungus Chaetomium thermophilum.
Protein Pept.Lett., 28, 2021
7NKF
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BU of 7nkf by Molmil
Hen egg white lysozyme (HEWL) Grown inside (Not centrifuged) HARE serial crystallography chip.
Descriptor: Lysozyme, SODIUM ION
Authors:Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C.
Deposit date:2021-02-17
Release date:2021-06-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
7NVQ
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Aerosol-soaked human cdk2 crystals with Staurosporine
Descriptor: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE
Authors:Ross, B, Huber, R.
Deposit date:2021-03-15
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Aerosol-based ligand soaking of reservoir-free protein crystals.
J.Appl.Crystallogr., 54, 2021
7NY8
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BU of 7ny8 by Molmil
Affimer K69 - KRAS protein complex
Descriptor: Affimer K69, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Turner, A.L, Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C.
Deposit date:2021-03-21
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
7NRW
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BU of 7nrw by Molmil
Human myelin protein P2 mutant M114T
Descriptor: CHLORIDE ION, MAGNESIUM ION, Myelin P2 protein, ...
Authors:Uusitalo, M, Ruskamo, S, Kursula, P.
Deposit date:2021-03-04
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human myelin protein P2: from crystallography to time-lapse membrane imaging and neuropathy-associated variants.
Febs J., 288, 2021
7NTP
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BU of 7ntp by Molmil
Human myelin P2 mutant V115A
Descriptor: Myelin P2 protein, PALMITIC ACID
Authors:Uusitalo, M, Ruskamo, S, Kursula, P.
Deposit date:2021-03-10
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human myelin protein P2: from crystallography to time-lapse membrane imaging and neuropathy-associated variants.
Febs J., 288, 2021
7NSR
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BU of 7nsr by Molmil
Myelin protein P2 I50del
Descriptor: CHLORIDE ION, MAGNESIUM ION, Myelin P2 protein, ...
Authors:Uusitalo, M, Ruskamo, S, Kursula, P.
Deposit date:2021-03-08
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Human myelin protein P2: from crystallography to time-lapse membrane imaging and neuropathy-associated variants.
Febs J., 288, 2021
7O60
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BU of 7o60 by Molmil
Crystal structure of human myelin protein P2 at room temperature from joint X-ray and neutron refinement.
Descriptor: CITRIC ACID, Myelin P2 protein, PALMITIC ACID
Authors:Laulumaa, S, Blakeley, M.P, Kursula, P.
Deposit date:2021-04-09
Release date:2021-09-01
Last modified:2024-11-13
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Human myelin protein P2: from crystallography to time-lapse membrane imaging and neuropathy-associated variants.
Febs J., 288, 2021
7NQQ
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BU of 7nqq by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:O'Reilly, M.
Deposit date:2021-03-02
Release date:2021-10-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR3
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BU of 7nr3 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2021-03-02
Release date:2021-10-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR9
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BU of 7nr9 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A.
Deposit date:2021-03-03
Release date:2021-10-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR5
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BU of 7nr5 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A.
Deposit date:2021-03-03
Release date:2021-10-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
5YL7
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BU of 5yl7 by Molmil
Proteases from Pseudoalteromonas arctica PAMC 21717 (Pro21717)
Descriptor: CALCIUM ION, Copurified unknown peptide, Pseudoalteromonas arctica PAMC 21717
Authors:Lee, J.H, Lee, C.W.
Deposit date:2017-10-17
Release date:2018-01-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a cold-active protease (Pro21717) from the psychrophilic bacterium, Pseudoalteromonas arctica PAMC 21717, at 1.4 angstrom resolution: Structural adaptations to cold and functional analysis of a laundry detergent enzyme
PLoS ONE, 13, 2018
1CJ7
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BU of 1cj7 by Molmil
T11V MUTANT HUMAN LYSOZYME
Descriptor: PROTEIN (LYSOZYME), SODIUM ION
Authors:Takano, K, Yamagata, Y, Funahashi, J, Yutani, K.
Deposit date:1999-04-22
Release date:1999-04-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of intra- and intermolecular hydrogen bonds to the conformational stability of human lysozyme(,).
Biochemistry, 38, 1999
1CRB
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BU of 1crb by Molmil
CRYSTALLOGRAPHIC STUDIES ON A FAMILY OF CELLULAR LIPOPHILIC TRANSPORT PROTEINS. REFINEMENT OF P2 MYELIN PROTEIN AND THE STRUCTURE DETERMINATION AND REFINEMENT OF CELLULAR RETINOL-BINDING PROTEIN IN COMPLEX WITH ALL-TRANS-RETINOL
Descriptor: CADMIUM ION, CELLULAR RETINOL BINDING PROTEIN, RETINOL
Authors:Cowan, S.W, Jones, T.A.
Deposit date:1993-02-10
Release date:1994-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic studies on a family of cellular lipophilic transport proteins. Refinement of P2 myelin protein and the structure determination and refinement of cellular retinol-binding protein in complex with all-trans-retinol.
J.Mol.Biol., 230, 1993
1CRJ
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BU of 1crj by Molmil
THE ROLE OF A CONSERVED INTERNAL WATER MOLECULE AND ITS ASSOCIATED HYDROGEN BOND NETWORK IN CYTOCHROME C
Descriptor: CYTOCHROME C, HEME C, SULFATE ION
Authors:Berghuis, A.M, Brayer, G.D.
Deposit date:1993-08-06
Release date:1994-01-31
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The role of a conserved internal water molecule and its associated hydrogen bond network in cytochrome c.
J.Mol.Biol., 236, 1994
1CIK
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BU of 1cik by Molmil
RECOMBINANT SPERM WHALE MYOGLOBIN I99A MUTANT (MET)
Descriptor: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Liong, E.C, Phillips Jr, G.N.
Deposit date:1999-04-01
Release date:1999-04-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin.
J.Biol.Chem., 276, 2001
1COB
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BU of 1cob by Molmil
CRYSTAL STRUCTURE SOLUTION AND REFINEMENT OF THE SEMISYNTHETIC COBALT SUBSTITUTED BOVINE ERYTHROCYTE ENZYME SUPEROXIDE DISMUTASE AT 2.0 ANGSTROMS RESOLUTION
Descriptor: COBALT (II) ION, COPPER (II) ION, SUPEROXIDE DISMUTASE
Authors:Djinovic, K, Coda, A, Antolini, L, Pelosi, G, Desideri, A, Falconi, M, Rotilio, G, Bolognesi, M.
Deposit date:1992-02-19
Release date:1993-10-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure solution and refinement of the semisynthetic cobalt-substituted bovine erythrocyte superoxide dismutase at 2.0 A resolution.
J.Mol.Biol., 226, 1992
1CQH
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BU of 1cqh by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN REF-1 (RESIDUES 59-71 OF THE P50 SUBUNIT OF NFKB), NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: REF-1 PEPTIDE, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1996-04-02
Release date:1996-08-01
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:The solution structure of human thioredoxin complexed with its target from Ref-1 reveals peptide chain reversal.
Structure, 4, 1996
1CTY
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BU of 1cty by Molmil
MUTATION OF TYROSINE-67 IN CYTOCHROME C SIGNIFICANTLY ALTERS THE LOCAL HEME ENVIRONMENT
Descriptor: CYTOCHROME C, HEME C, SULFATE ION
Authors:Berghuis, A.M, Brayer, G.D.
Deposit date:1993-02-15
Release date:1993-07-15
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutation of tyrosine-67 to phenylalanine in cytochrome c significantly alters the local heme environment.
J.Mol.Biol., 235, 1994
1CH5
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BU of 1ch5 by Molmil
RECOMBINANT SPERM WHALE MYOGLOBIN H97V MUTANT (MET)
Descriptor: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Liong, E.C, Phillips Jr, G.N.
Deposit date:1999-03-31
Release date:1999-04-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin.
J.Biol.Chem., 276, 2001

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